SCHEMBL3566060

SCHEMBL3566060

COC(=O)C(C)N1C(=O)c2ccccc2CC1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ MMP2 P08253 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ SDCBP O00560 1/20 0.36
▸ SDC2 P34741 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
SCHEMBL10851353 0.79 CAPN1 (0.53) RAB9ACAPN1MMP2ANPEP
SCHEMBL8498091 0.79 CAPN1 (0.53) RAB9ACAPN1MMP2ANPEP
SCHEMBL3799179 0.78 CAPN1 (0.41) NPC1RAB9ACAPN1MMP2ANPEP
SCHEMBL26997786 0.73 DRD2 (0.46) —
SCHEMBL7990049 0.73 DRD2 (0.46) —
SCHEMBL5839153 0.69 LMNA (0.60) NPC1LMNA
SCHEMBL12992250 0.68 CHEK1 (0.46) MMP2ANPEP
SCHEMBL13545530 0.68 CHEK1 (0.46) MMP2ANPEP
SCHEMBL16266896 0.67 VHL (0.56) —
SCHEMBL16266897 0.67 VHL (0.56) —

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 NPC1 316/4885RAB9A 1879/4885CAPN1 1970/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B NPC1 371/4885RAB9A 1710/4885CAPN1 2277/4885

“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.

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