SCHEMBL4452048

SCHEMBL4452048

CC(C)(C)Oc1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.47
TRPV3 Q8NET8 1/20 0.40
GAA P10253 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KCNH2 Q12809 1/20 0.34
ALOX5AP P20292 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL2522651 0.84 TRPV3 (0.45) TRPV3GAAKCNH2ALOX5APFFAR4
SCHEMBL31445247 0.79 HTR7 (0.43) HTR7HTR1ADRD2
SCHEMBL2306499 0.79 HTR7 (0.43) HTR7HTR1ADRD2
SCHEMBL17036733 0.79 TRPV3 (0.40) TRPV3KCNH2ALOX5APFFAR4
SCHEMBL16472623 0.78 HTR7 (0.41) HTR7TRPV3IRAK4
SCHEMBL6964 0.78
SCHEMBL29427033 0.78
SCHEMBL14545220 0.77 CCR1 (0.44) TRPV3KCNH2ALOX5AP
SCHEMBL24015238 0.76 HTR7 (0.45) HTR7IRAK4HTR1ADRD2HTR2A
SCHEMBL22550725 0.75 TRPV3 (0.40) TRPV3KCNH2ALOX5APFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104496891-A Synthesis method of pyridine derivative 2-tert-butoxy-6-methylene chloropyridine HARBIN INST OF TECHNOLOGY 2015-04-08 CN claimed
CN-118271299-A Lactam compound, and preparation method and application thereof 广州市联瑞制药有限公司 2024-07-02 CN disclosed
WO-2021145401-A1 SPIROHETEROCYCLIC DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-07-22 WO disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
CN-104496891-A Synthesis method of pyridine derivative 2-tert-butoxy-6-methylene chloropyridine HARBIN INST OF TECHNOLOGY 2015-04-08 CN disclosed
CN-104496891-A Synthesis method of pyridine derivative 2-tert-butoxy-6-methylene chloropyridine HARBIN INST OF TECHNOLOGY 2015-04-08 CN disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2057109-A2 ADDITION REACTIONS USING TRANSITION METAL CATALYSTS IN HALOGENATED SOLVENTS BASF SE (DE) 2009-05-13 EP disclosed
WO-2008046918-A2 ADDITION REACTIONS USING TRANSITION METAL CATALYSTS IN HALOGENATED SOLVENTS BASF SE (DE) 2008-04-24 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 (2 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 HTR7 409/4885TRPV3 350/4885GAA 1192/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 HTR7 409/4885TRPV3 350/4885GAA 1192/4885

“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.