SCHEMBL3352150

SCHEMBL3352150

O=C1Nc2cc[c]cc2CCO1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL3358269 0.87 NPC1 (0.30) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3354520 0.83 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL885250 0.75 NPC1 (0.55) CYP11B1CYP11B2NPC1MAPK13MAPK12
SCHEMBL986343 0.75 NPC1 (0.55) CYP11B1CYP11B2NPC1MAPK13MAPK12
SCHEMBL3353117 0.72 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL8556611 0.72 MAPT (0.58) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3357269 0.71 CRBN (0.39) CYP11B1CYP11B2NPC1MAPK13MAPK12
SCHEMBL3622863 0.70 MAOA (0.42)
SCHEMBL2060589 0.70 CA9 (0.44) CYP11B1CYP11B2NPC1
SCHEMBL443143 0.69 AHR (0.53) CYP11B1CYP11B2NPC1MAPK13MAPK12

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 CYP11B1 1005/4885CYP11B2 894/4885NPC1 1216/4885

“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.