SCHEMBL1395191

SCHEMBL1395191

O=C1NC2(CCCC2)CN[C@H]1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
GHSR Q92847 7/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TACR1 P25103 3/20 0.39
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.37
MAOB P27338 1/20 0.37
SLC22A1 O15245 1/20 0.37
PRCP P42785 1/20 0.37

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
SCHEMBL10153085 1.00 HDAC8 (0.54) HDAC8GHSRDDB1CRBNTACR1
SCHEMBL1395422 1.00 HDAC8 (0.54) HDAC8GHSRDDB1CRBNTACR1
SCHEMBL10153094 0.80 HDAC8 (0.58) HDAC8GHSRDDB1CRBNTACR1
SCHEMBL1394477 0.80 HDAC8 (0.58) HDAC8GHSRDDB1CRBNTACR1
SCHEMBL10153068 0.75 OTUD7B (0.40) DDB1CRBNKMT2ACA2
SCHEMBL10189869 0.70 POLB (0.45) KMT2A
SCHEMBL1393899 0.70 POLB (0.45) KMT2A
SCHEMBL3707026 0.69 HDAC8 (0.60) HDAC8DDB1CRBNCA2MAOB
SCHEMBL9437533 0.68 GLA (0.58) HDAC8GHSRSLC22A1PRCP
SCHEMBL9437531 0.68 GLA (0.58) HDAC8GHSRSLC22A1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 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 (2 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 HDAC8 3290/4885GHSR 218/4885DDB1 1923/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL HDAC8 3343/4885GHSR 239/4885DDB1 1863/4885

“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.