SCHEMBL14044233

SCHEMBL14044233

CCC(C)(C)N1CCC(N2CCN(C3CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31

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
SCHEMBL25094778 0.94 TSHR (0.39) TSHRKDM4EALDH1A1ALOX15OPRM1
SCHEMBL21214477 0.90 L3MBTL1 (0.36) TSHRKDM4EALDH1A1OPRM1OPRL1
SCHEMBL22921130 0.90 L3MBTL3 (0.38) TSHR
SCHEMBL21214478 0.86 KDM4E (0.45) TSHRKDM4EALDH1A1ALOX15OPRM1
SCHEMBL19226645 0.86 TSHR (0.43) TSHRSIGMAR1KMT2APOLB
SCHEMBL21291301 0.85 L3MBTL3 (0.39) KDM4EALDH1A1OPRL1
SCHEMBL14400051 0.84 TSHR (0.38) TSHRALDH1A1SIGMAR1KMT2A
SCHEMBL11919256 0.82 CHRM1 (0.40) KDM4EALDH1A1ALOX15SIGMAR1POLB
SCHEMBL21709573 0.81 TSHR (0.38) TSHRSIGMAR1POLB
SCHEMBL21214511 0.78 KDM4E (0.43) KDM4EALDH1A1SIGMAR1KMT2A

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-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TSHR 437/4885KDM4E 4698/4885ALDH1A1 1218/4885

“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.