SCHEMBL2035199

SCHEMBL2035199

CC(C)(O)CCn1ccc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.63
CCND1 P24385 4/20 0.63
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
LMNA P02545 1/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.49
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR6 P50406 2/20 0.43

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
SCHEMBL418136 0.86 CDK4 (0.68) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL2946887 0.83 CDK4 (0.63) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL18405592 0.82 CDK4 (0.57) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL11366447 0.79 CDK4 (1.00) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL15782891 0.79 HTR2A (0.51) CDK4CCND1HTR2AHTR2CMTNR1A
SCHEMBL15770690 0.79 CYP19A1 (0.41) CDK4CCND1HTR2AHTR2CKMT2A
SCHEMBL30119767 0.79 CDK4 (0.68) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL31444642 0.78 PRKCI (0.40) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL18648124 0.76 HTR7 (0.40) CDK4CCND1CYP1A2MTNR1AMTNR1B
SCHEMBL3595410 0.76 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014086712-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 WO disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 CDK4 2608/4885CCND1 1749/4885HTR2A 32/4885

“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.