SCHEMBL15440798

SCHEMBL15440798

CC(C)C(=O)c1cn(-c2cnn(C)c2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 16/20 0.58
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.46
NR4A2 P43354 1/20 0.45

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
SCHEMBL17652247 0.87 HTR3A (0.59) HTR3ANR4A2
Hydrochloric Acid SCHEMBL15421042 0.85 HTR3A (0.58) HTR3ANR4A2
SCHEMBL15444637 0.85 HTR3A (0.58) HTR3AALDH1A1NR4A2
SCHEMBL15440796 0.84 HTR3A (0.59) HTR3AALDH1A1TSHRNR4A2
SCHEMBL15441089 0.84 HTR3A (0.58) HTR3AALDH1A1TSHRNR4A2
SCHEMBL17170733 0.82 NR4A2 (0.64) HTR3AALDH1A1TSHRNR4A2
SCHEMBL20080419 0.82 HTR3A (0.55) HTR3AALDH1A1TSHRNR4A2
SCHEMBL15420954 0.82 NR4A2 (0.69) HTR3AALDH1A1TSHRNR4A2
SCHEMBL17170669 0.82 HTR3A (0.54) HTR3AALDH1A1TSHRNR4A2
SCHEMBL15440776 0.81 HTR3A (0.55) HTR3AALDH1A1TSHRNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312169-B1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-09-15 EP disclosed
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.