SCHEMBL10249403

SCHEMBL10249403

Cc1ccc(-c2ccc3c(c2)NCC2CNCCN32)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.50
HTR2B P41595 12/20 0.46
HTR2A P28223 8/20 0.46
HTR6 P50406 3/20 0.43
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5743799 0.87 HTR2C (0.51) HTR2CHTR2BHTR2AHTR6
SCHEMBL5748262 0.87 HTR2C (0.52) HTR2CHTR2BHTR2AHTR6
SCHEMBL5747129 0.87 HTR2C (0.56) HTR2CHTR2BHTR2AHTR6KDM4E
SCHEMBL5744871 0.83 HTR2C (0.52) HTR2CHTR2BHTR2AHTR6
SCHEMBL5744369 0.77 HTR2C (0.56) HTR2CHTR2BHTR2AHTR6MEN1
SCHEMBL5743824 0.76 HTR2C (0.56) HTR2CHTR2BHTR2AHTR6KDM4E
SCHEMBL5745272 0.75 HTR2C (0.53) HTR2CHTR2BHTR2AHTR6KDM4E
SCHEMBL6713898 0.74 HTR2C (0.61) HTR2CHTR2BHTR2AHTR6
SCHEMBL6715645 0.74 HTR2C (0.61) HTR2CHTR2BHTR2AHTR6
SCHEMBL30729380 0.70 MEN1 (0.64) HTR2CHTR2BHTR2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-27 US disclosed
US-9079907-B2 Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-14 US disclosed
US-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA ASTELLAS PHARMA INC. (JP) 2012-10-04 US disclosed
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SHIRAI JUNYA (JP) 2012-06-28 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 (4 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-20140155369-A1 PREVENTIVES/REMEDIES FOR STRESS URINARY INCONTINENCE AND METHOD OF SCREENING THE SAME ADRA2C, HTR2C, HTR3A HTR2C 2/4885HTR2B 15/4885HTR2A 5/4885
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2B 5/4885HTR2A 4/4885
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA HTR2A, HTR2C, HTR3A HTR2C 2/4885HTR2B 4/4885HTR2A 1/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B HTR2C 1/4885HTR2B 5/4885HTR2A 4/4885

“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.