SCHEMBL10149152

SCHEMBL10149152

CN1C(=O)C(Cc2ccc(OC(C)(C)C)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.48
LMNA P02545 2/20 0.48
PDE3A Q14432 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
PDE4D Q08499 2/20 0.44
HTR2B P41595 1/20 0.44
ROCK2 O75116 4/20 0.43
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
GAA P10253 1/20 0.39
TSPO P30536 1/20 0.39
BRD4 O60885 4/20 0.39
ROCK1 Q13464 2/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
CACNA1F O60840 1/20 0.36
ALB P02768 1/20 0.36

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
SCHEMBL8985776 0.88 OPRK1 (0.50) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL2264662 0.87 OPRK1 (0.53) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL2264868 0.87 OPRK1 (0.53) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL2264478 0.86 OPRK1 (0.52) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL11964613 0.86 OPRK1 (0.62) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL2263970 0.85 OPRK1 (0.49) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL605960 0.85 OPRK1 (0.51) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL607292 0.84 OPRK1 (0.53) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL29410184 0.84 OPRK1 (0.54) OPRK1LMNAPDE3AHDAC3HDAC6
SCHEMBL1687457 0.84 OPRK1 (0.54) OPRK1LMNAPDE3AHDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422788-A2 Benzodiazepines and compositions and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-29 EP disclosed
US-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-11-27 US disclosed
US-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-11-27 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-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof BAX, BAD, GABRB3 OPRK1 111/4885LMNA 2518/4885PDE3A 1939/4885

“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.