SCHEMBL3275506

SCHEMBL3275506

c1cc2c(c(C3CC3)c1)OCCNC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 10/20 0.40
HTR2C P28335 6/20 0.38
HTR2B P41595 3/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 1/20 0.36
SSTR1 P30872 2/20 0.35
SSTR2 P30874 2/20 0.35
SSTR3 P32745 2/20 0.35
SSTR5 P35346 2/20 0.35

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
Hydrochloric Acid SCHEMBL3278097 0.98 SSTR4 (0.40) SSTR4HTR2CHTR2BHTR1AHTR2A
SCHEMBL3275394 0.94 HTR2C (0.42) SSTR4HTR2CHTR2BHTR1AHTR2A
Hydrochloric Acid SCHEMBL3276764 0.92 SSTR4 (0.38) SSTR4HTR2CHTR1A
Hydrochloric Acid SCHEMBL3276619 0.92 HTR2C (0.41) SSTR4HTR2CHTR1A
Hydrochloric Acid SCHEMBL3275959 0.91 SSTR4 (0.38) SSTR4HTR2CHTR1A
SCHEMBL3276638 0.87 SSTR4 (0.37) SSTR4HTR2CHTR2BHTR2ASSTR1
Hydrochloric Acid SCHEMBL3277749 0.86 SSTR4 (0.36) SSTR4HTR2CHTR2BHTR2ASSTR1
SCHEMBL8747214 0.78 HTR1A (0.51) HTR1A
SCHEMBL614437 0.77 HTR1A (0.46) HTR2CHTR1A
Hydrochloric Acid SCHEMBL3283716 0.77 SSTR4 (0.35) SSTR4HTR2CSSTR1SSTR2SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP claimed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US claimed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US claimed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP claimed
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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 (1 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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B SSTR4 468/4885HTR2C 1/4885HTR2B 3/4885

“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.