SCHEMBL3555260

SCHEMBL3555260

CC(C)(C)OC(=O)N1CCN2C(Cc3ccccc3S2(=O)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
NAMPT P43490 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3R2 O00459 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PIK3R5 Q8WYR1 2/20 0.41
PIK3R3 Q92569 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
USP30 Q70CQ3 4/20 0.40
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL4415922 0.82 PIK3CD (0.41) MAPK1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL20986856 0.82 PIK3CD (0.47) MAPK1NAMPTPIK3CDPIK3R2PIK3CA
SCHEMBL20986857 0.82 PIK3CD (0.47) MAPK1NAMPTPIK3CDPIK3R2PIK3CA
SCHEMBL24187402 0.76 SIGMAR1 (0.65) MAPK1NAMPTSIGMAR1GPR119USP30
SCHEMBL20986859 0.74 PRMT5 (0.46) MAPK1NAMPTPIK3CDPIK3R2PIK3CA
SCHEMBL6422038 0.74 SIGMAR1 (0.46) SIGMAR1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL11946504 0.74 RORC (0.43) GPR119USP30JAK2JAK1EGFR
SCHEMBL21757343 0.71 USP2 (0.39) MAPK1GPR119USP30
SCHEMBL31568234 0.71 MAPK1 (0.45) MAPK1NAMPTGPR119
SCHEMBL24187272 0.71 GPR119 (0.46) MAPK1NAMPTSIGMAR1GPR119USP30

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 MAPK1 2429/4885NAMPT 1367/4885SIGMAR1 249/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B MAPK1 2525/4885NAMPT 1187/4885SIGMAR1 260/4885

“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.