SCHEMBL15440909

SCHEMBL15440909

Cc1ncccc1-n1cc(C(=O)C(C)C)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.57
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NR4A2 P43354 1/20 0.39
PDE4A P27815 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 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
SCHEMBL15444726 0.87 HTR3A (0.58) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL17170607 0.83 ALDH1A1 (0.53) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL20080370 0.82 HTR3A (0.54) HTR3AALDH1A1TSHRLMNAL3MBTL1
SCHEMBL15440779 0.81 HTR3A (0.54) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL15440802 0.79 HTR3A (0.57) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL17170663 0.79 HTR3A (0.56) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL15440776 0.77 HTR3A (0.55) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL15440770 0.76 HTR3A (0.54) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL17170686 0.76 HTR3A (0.56) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL17170720 0.76 TSHR (0.67) HTR3AALDH1A1TSHRLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2016-09-01 US disclosed
US-9346829-B2 5-HT3 receptor antagonists TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-02 US disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 US disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (5 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885ALDH1A1 1329/4885TSHR 336/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALDH1A1 1329/4885TSHR 336/4885
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR3E HTR3A 1/4885ALDH1A1 1138/4885TSHR 246/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALDH1A1 1329/4885TSHR 336/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ALDH1A1 1329/4885TSHR 336/4885

“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.