SCHEMBL3550403

SCHEMBL3550403

COc1ccc(C)cc1C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.73
HDAC6 Q9UBN7 5/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
TACR1 P25103 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
CMA1 P23946 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3550409 1.00 OPRK1 (0.73) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL3557588 0.89 OPRK1 (0.68) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL3557585 0.89 OPRK1 (0.68) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL3492180 0.88 OPRK1 (0.84) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL874532 0.88 OPRK1 (0.84) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL5152149 0.82 OPRK1 (0.68) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL2084503 0.81 OPRK1 (0.63) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL873243 0.81 HDAC6 (0.68) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL873244 0.81 HDAC6 (0.68) OPRK1HDAC6HDAC1HDAC8TACR1
SCHEMBL5368628 0.80 OPRK1 (0.65) OPRK1HDAC6HDAC1HDAC8TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 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 (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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A OPRK1 24/4885HDAC6 2447/4885HDAC1 2083/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B OPRK1 25/4885HDAC6 2071/4885HDAC1 1803/4885

“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.