SCHEMBL3092669

SCHEMBL3092669

Cc1cc(CCC(=O)N2CCN(C3CCOCC3)CC2)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.46
FKBP1A P62942 3/20 0.44
PCNA P12004 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
AIMP2 Q13155 1/20 0.39

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
SCHEMBL2086482 0.88 ALDH1A1 (0.62) HRH3KMT2AALDH1A1TSHRL3MBTL3
SCHEMBL3092663 0.80 HRH3 (0.39) HRH3KMT2AALDH1A1KDM4EMAPT
SCHEMBL18909114 0.72 HRH3 (0.51) HRH3ALDH1A1KDM4E
SCHEMBL13636248 0.71 HRH3 (0.68) HRH3KMT2AALDH1A1TSHRL3MBTL3
SCHEMBL3357953 0.71 ALDH1A1 (0.43) KMT2AALDH1A1TSHRL3MBTL3KDM4E
Hydrochloric Acid SCHEMBL4378991 0.71 HRH3 (0.70) HRH3KMT2AALDH1A1TSHRL3MBTL3
SCHEMBL13928158 0.70 RAMP1 (0.53) HRH3KMT2AALDH1A1TSHRL3MBTL3
SCHEMBL13636201 0.69 ALDH1A1 (0.63) HRH3KMT2AALDH1A1TSHRL3MBTL3
SCHEMBL4377262 0.69 KMT2A (0.66) KMT2AALDH1A1TSHRKDM4EHPGD
SCHEMBL4382131 0.68 KMT2A (0.68) KMT2AALDH1A1TSHRKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 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 (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-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA HRH3 229/4885KMT2A 4658/4885ALDH1A1 1335/4885

“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.