SCHEMBL233436

SCHEMBL233436

OC1CCc2cc3ccccc3n2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR2C P28335 5/20 0.47
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SIGMAR1 Q99720 9/20 0.37
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL231854 0.80 HTR2A (0.51) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL8447696 0.78 HTR2A (0.43) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL21027978 0.78 HTR2A (0.45) HTR2AHTR2CNOTUMALDH1A1SIGMAR1
SCHEMBL8654307 0.77 HTR2A (0.43) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL13279281 0.75 HTR2A (0.40) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL18229904 0.75 HTR2A (0.42) HTR2AHTR2CNOTUMSIGMAR1JAK3
SCHEMBL18229914 0.75 HTR2A (0.42) HTR2AHTR2CNOTUMSIGMAR1JAK3
SCHEMBL18229903 0.75 HTR2A (0.42) HTR2AHTR2CNOTUMSIGMAR1JAK3
SCHEMBL13448722 0.74 HTR2A (0.42) HTR2AHTR2CNOTUMSIGMAR1
SCHEMBL8658423 0.74 HTR2A (0.43) HTR2AHTR2CNOTUMSIGMAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 US disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2021-10-21 US disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
EP-3294712-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD Pharmaceuticals, Inc. (US) 2018-03-21 EP disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed
US-8637541-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-8637541-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 US disclosed
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-08-18 US disclosed
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-08-18 US disclosed
WO-2010085820-A2 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
US-7696222-B2 Indole derivatives as CRTH2 receptor antagonists MERCK FROSST CANADA LTD (CA) 2010-04-13 US disclosed
WO-2010031182-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-03-25 WO disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 US disclosed
US-20090286825-A1 Indole derivatives as crth2 receptor antagonists MERCK CANADA INC. (CA) 2009-11-19 US disclosed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 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 (6 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-20090286825-A1 Indole derivatives as crth2 receptor antagonists MC2R, HRH2, PTGDR HTR2A 154/4885HTR2C 236/4885NOTUM 4041/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 HTR2A 604/4885HTR2C 749/4885NOTUM 3876/4885
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, MTNR1B, MTNR1A HTR2A 33/4885HTR2C 83/4885NOTUM 2653/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 HTR2A 772/4885HTR2C 1011/4885NOTUM 3644/4885
US-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR2A 80/4885HTR2C 81/4885NOTUM 1772/4885
US-20210323976-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 HTR2A 1012/4885HTR2C 642/4885NOTUM 2272/4885

“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.