SCHEMBL12604657

SCHEMBL12604657

Cc1c2n(c3ccccc13)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.46
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMARCA4 P51532 2/20 0.39
PBRM1 Q86U86 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39

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
SCHEMBL1104626 0.95 HTR2A (0.66) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL30749787 0.95 HTR2A (0.66) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL20080068 0.78 HTR6 (0.43) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL21158854 0.78 HTR2A (0.41) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL12563372 0.78 HTR2A (0.41) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL19960981 0.78 HTR2A (0.41) HTR2AHTR2CSIGMAR1KDM4EMAPT
Hydrochloric Acid SCHEMBL6715292 0.77 HTR2A (0.97) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL11163387 0.76 HTR2A (0.56) HTR2AHTR2CSIGMAR1KDM4EMAPT
SCHEMBL24916794 0.76 HTR2A (0.50) HTR2AHTR2CSIGMAR1KDM4EALOX15
SCHEMBL18202172 0.75 HTR2A (0.55) HTR2AHTR2CSIGMAR1KDM4EMAPT

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 7 patents. 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
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
WO-2016183278-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2016-11-17 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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 (3 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO HTR2A 1080/4885HTR2C 648/4885SIGMAR1 512/4885
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 HTR2A 604/4885HTR2C 749/4885SIGMAR1 2270/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 HTR2A 772/4885HTR2C 1011/4885SIGMAR1 3069/4885

“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.