SCHEMBL15440779

SCHEMBL15440779

CC(C)C(=O)c1cn(-c2ccccn2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.54
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.47
HTR7 P34969 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NR4A2 P43354 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL18922705 0.90 HTR3A (0.53) HTR3AALDH1A1HTR7LMNANR4A2
SCHEMBL17170607 0.86 ALDH1A1 (0.53) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL15444633 0.86 HTR3A (0.56) HTR3AALDH1A1HTR7LMNANR4A2
SCHEMBL17170671 0.86 HTR3A (0.57) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL15441066 0.85 HTR3A (0.55) HTR3AALDH1A1TSHRLMNA
SCHEMBL17170663 0.84 HTR3A (0.56) HTR3AALDH1A1TSHRLMNAHTT
SCHEMBL6044056 0.83 HTR3A (0.53) HTR3ATSHRHTR7NR4A2POLB
SCHEMBL15420930 0.81 NR4A2 (0.64) HTR3AALDH1A1TSHRLMNANR4A2
SCHEMBL20080348 0.81 KMT2A (0.52) HTR3AALDH1A1TSHRHTR7LMNA
SCHEMBL15440909 0.81 HTR3A (0.57) 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 11 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
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 EP 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.