SCHEMBL3354534

SCHEMBL3354534

[c]1cc2c3c(c1)CCN3CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
RAD52 P43351 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTR2C P28335 4/20 0.41
HTR2B P41595 2/20 0.36
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
RECQL P46063 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
USP2 O75604 2/20 0.35
GAA P10253 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
BLM P54132 2/20 0.35
PABPC1 P11940 1/20 0.35
ALOX15 P16050 1/20 0.35
NR4A1 P22736 1/20 0.35
APEX1 P27695 1/20 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
SCHEMBL224329 0.96 KMT2A (0.47) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL2338214 0.76 HTR2C (0.65) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL2742045 0.72 KMT2A (0.52) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL2346449 0.72 KMT2A (0.52) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL4869823 0.72 KMT2A (0.48) KMT2ARAD52RXFP1HTR2CMEN1
SCHEMBL60540 0.70 HTR2C (0.69) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL11223239 0.70 KMT2A (0.59) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL13989159 0.70 KMT2A (0.53) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL4507606 0.70 HTR2C (0.66) KMT2ARAD52RXFP1HTR2CHTR2B
SCHEMBL29494128 0.70 HTR2C (0.66) KMT2ARAD52RXFP1HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA KMT2A 4757/4885RAD52 2042/4885RXFP1 53/4885

“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.