SCHEMBL15440767

SCHEMBL15440767

CC(C)NC1CC2COCC(C1)N2C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
HTR3A P46098 16/20 0.33
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
HRH1 P35367 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL15440788 0.86
SCHEMBL2620677 0.82 CHRM1 (0.49) CHRM1SLC6A2SLC6A4HTR3AHTR3E
SCHEMBL23519812 0.82 CHRM1 (0.49) CHRM1SLC6A2SLC6A4HTR3AHTR3E
SCHEMBL22113083 0.82 CHRM1 (0.49) CHRM1SLC6A2SLC6A4HTR3AHTR3E
SCHEMBL15440918 0.80 ALDH1A1 (0.32)
SCHEMBL17170586 0.80 HTR3E (0.45) CHRM1SLC6A2SLC6A4HTR3AHTR3E
SCHEMBL17170657 0.79 HTR3A (0.30) HTR3A
SCHEMBL15030963 0.78
SCHEMBL14232024 0.78
SCHEMBL23812583 0.78 CHRM1 (0.33) CHRM1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
US-9346829-B2 5-HT3 receptor antagonists TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 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 (7 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B CHRM1 338/4885SLC6A2 146/4885SLC6A4 35/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A CHRM1 331/4885SLC6A2 167/4885SLC6A4 46/4885
US-20150182533-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR3E CHRM1 169/4885SLC6A2 92/4885SLC6A4 29/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B CHRM1 338/4885SLC6A2 146/4885SLC6A4 35/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A CHRM1 331/4885SLC6A2 167/4885SLC6A4 46/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A CHRM1 328/4885SLC6A2 135/4885SLC6A4 35/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A CHRM1 331/4885SLC6A2 167/4885SLC6A4 46/4885

“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.