SCHEMBL3352289

SCHEMBL3352289

O=C1CCNc2c[c]ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
MPI P34949 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3352434 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL14893229 0.81
Hydrochloric Acid SCHEMBL30205268 0.73 MEN1 (0.58) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL19639065 0.73 CRBN (0.41) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL104221 0.72
SCHEMBL68581 0.72 MEN1 (0.61) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL10431244 0.72 CA12 (0.31) PARP1
SCHEMBL23277084 0.71 PBRM1 (0.33) CASP1CASP7HSD17B10
Hydrochloric Acid SCHEMBL5512697 0.71 MEN1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL29473284 0.71 MEN1 (0.59) MEN1KMT2AALDH1A1HPGDLMNA

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-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
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (3 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN MEN1 4236/4885KMT2A 3763/4885ALDH1A1 921/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MEN1 4599/4885KMT2A 4042/4885ALDH1A1 1486/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 735/4885KMT2A 4757/4885ALDH1A1 1559/4885

“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.