SCHEMBL2184889

SCHEMBL2184889

O=C1c2ccccc2C(=O)N1OC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.46
CHRM3 P20309 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CHRM2 P08172 1/20 0.38
OPRM1 P35372 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL32665351 1.00 HRH1 (0.46) HRH1CHRM3HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1677150 0.98 HRH1 (0.45) HRH1CHRM3HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL1676967 0.87 CHRM3 (0.41) HRH1CHRM3ALDH1A1CYP1A2
SCHEMBL30728974 0.87 GAA (0.46) GAAALDH1A1CHRM2OPRM1DDB1
SCHEMBL26931611 0.87 GAA (0.46) GAAALDH1A1CHRM2OPRM1DDB1
SCHEMBL24130978 0.84 ALDH1A1 (0.43) GAAALDH1A1CHRM2OPRM1DDB1
SCHEMBL9388231 0.84 GAA (0.43) HTR2AHTR2CHTR2BGAAALDH1A1
SCHEMBL2077862 0.84 ALDH1A1 (0.47) GAAALDH1A1CHRM2OPRM1DDB1
SCHEMBL30002131 0.84 ALDH1A1 (0.47) GAAALDH1A1CHRM2OPRM1DDB1
Hydrochloric Acid SCHEMBL31289134 0.82 CACNA2D1 (0.43) HTR2AHTR2CHTR2BSIGMAR1OPRM1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686305-B1 QUINAZOLINEDIONES AND THEIR USE IMPACT THERAPEUTICS INC (CN) 2020-09-16 EP disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
WO-2012125521-A1 QUINAZOLINEDIONES AND THEIR USE Eternity Bioscience Inc. (US) 2012-09-20 WO disclosed
EP-2445878-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO 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 (1 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 HRH1 433/4885CHRM3 839/4885HTR2A 1206/4885

“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.