SCHEMBL10249398

SCHEMBL10249398

CCc1c(C)cc2c(c1C)C(=O)C[C@H]1CCN(C)C[C@H]21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 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
SCHEMBL10252565 0.89
SCHEMBL6556396 0.79 HTR2A (0.37) CDK4CCND1MAPTKDM4EMEN1
SCHEMBL6556400 0.79 HTR2A (0.37) CDK4CCND1MAPTKDM4EMEN1
SCHEMBL6556390 0.79 HTR2A (0.37) CDK4CCND1MAPTKDM4EMEN1
SCHEMBL6556316 0.79 HTR2A (0.37) CDK4CCND1MAPTKDM4EMEN1
SCHEMBL6556322 0.77 IDO1 (0.41) CDK4CCND1CYP3A4ACHE
SCHEMBL6556326 0.77 IDO1 (0.41) CDK4CCND1CYP3A4ACHE
SCHEMBL13213819 0.77 IDO1 (0.41) CDK4CCND1CYP3A4ACHE
SCHEMBL6556331 0.77 IDO1 (0.41) CDK4CCND1CYP3A4ACHE
SCHEMBL1743583 0.77 IDO1 (0.55) CDK4CCND1KDM4EALDH1A1

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 CDK4 4007/4885CCND1 4346/4885MAPT 4311/4885
US-20120165312-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B CDK4 1383/4885CCND1 2524/4885MAPT 4568/4885
US-20120253036-A1 AGENT FOR TREATING FIBROMYALGIA HTR2A, HTR2C, HTR3A CDK4 1522/4885CCND1 3514/4885MAPT 3536/4885
US-20150238506-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF HTR2C, HTR3C, HTR3B CDK4 1383/4885CCND1 2524/4885MAPT 4568/4885

“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.