SCHEMBL5529593

SCHEMBL5529593

Cc1cc(C(C)C)c(O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
TRPA1 O75762 2/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
GABRA1 P14867 3/20 0.45
GABRB1 P18505 1/20 0.45
PKM P14618 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 3/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22487 0.91 LMNA (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29384022 0.91 LMNA (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27912142 0.89 LMNA (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27783640 0.89 LMNA (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL27894221 0.89 LMNA (0.57) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL5530284 0.83 GABRA1 (0.45) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL214157 0.81 LMNA (0.68) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL29872559 0.81 LMNA (0.68) LMNATRPA1CHRM1SLC6A2ADRA1A
Phosphoric Acid SCHEMBL28308187 0.81 LMNA (0.49) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL15031067 0.79 GABRA1 (0.39) LMNATRPA1CHRM1SLC6A2ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 US disclosed
US-20170326142-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH Afferent Pharmaceuticals. Inc. (US) 2017-11-16 US disclosed
US-9724346-B2 Substituted pyrimidines for treatment of a cough selected from chronic pathological cough, sub-acute pathological cough, acute pathological cough, neuronal hypersensitivity underlying chronic cough, neuronal hypersensitivity underlying sub-acute cough and neuronal hypersensitivity underlying acute cough AFFERENT PHARMACEUTICALS INC. (US) 2017-08-08 US disclosed
US-20170151241-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS AFFERENT PHARMACEUTICALS INC. (US) 2017-06-01 US disclosed
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-9556127-B2 Diaminopyrimidines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2017-01-31 US disclosed
US-20160271131-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2016-09-22 US disclosed
US-20160263112-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH Afferent Pharmaceuticals, Inc. (US) 2016-09-15 US disclosed
US-9284279-B2 Substituted pyrimidines for treatment of acute cough, chronic cough and urge to cough Afferent Pharmaceuticals, Inc. (US) 2016-03-15 US disclosed
US-20150057299-A1 Methods of Using Diaminopyrimidine P2X3 and P2X 2/3 Receptor Modulators for Treatment of Acute and Sub-Acute Cough, Urge to Cough and Chronic Cough, in Respiratory Diseases Afferent Pharmaceuticals, Inc. 2015-02-26 US disclosed
US-20140357629-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2014-12-04 US disclosed
US-8846705-B2 Diaminopyrimidines as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
US-8524725-B2 Methods of using diaminopyrimidine as P2X3 and P2X⅔ receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2013-09-03 US disclosed
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2013-08-29 US disclosed
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC. 2012-05-17 US disclosed
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC 2011-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170326142-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH P2RX3, P2RX2, P2RX1 LMNA 4593/4885TRPA1 35/4885CHRM1 126/4885
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3419/4885TRPA1 183/4885CHRM1 459/4885
US-20170151241-A1 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS P2RX3, P2RX2, P2RX5 LMNA 626/4885TRPA1 234/4885CHRM1 439/4885
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3166/4885TRPA1 205/4885CHRM1 500/4885
US-20150057299-A1 Methods of Using Diaminopyrimidine P2X3 and P2X 2/3 Receptor Modulators for Treatment of Acute and Sub-Acute Cough, Urge to Cough and Chronic Cough, in Respiratory Diseases P2RX3, P2RX2, P2RX5 LMNA 4682/4885TRPA1 34/4885CHRM1 137/4885
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX6 LMNA 4095/4885TRPA1 268/4885CHRM1 185/4885
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3419/4885TRPA1 183/4885CHRM1 459/4885
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 LMNA 4079/4885TRPA1 234/4885CHRM1 176/4885
US-20160271131-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 LMNA 4079/4885TRPA1 234/4885CHRM1 176/4885
US-20140357629-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 LMNA 3166/4885TRPA1 205/4885CHRM1 500/4885
US-20160263112-A1 SUBSTITUTED PYRIMIDINES FOR TREATMENT OF ACUTE COUGH, CHRONIC COUGH AND URGE TO COUGH P2RX3, P2RX2, P2RX1 LMNA 4593/4885TRPA1 35/4885CHRM1 126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.