SCHEMBL3556341

SCHEMBL3556341

O=C1c2ccc(CF)cc2C[C@@H]2C(OC(=O)C(F)(F)F)N(Cc3ccccc3)CCN12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.33
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ACHE P22303 1/20 0.32
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL3554628 0.89 HTR2A (0.41) SIGMAR1LMNAMAPTTHRBACHE
SCHEMBL3558087 0.88 ACHE (0.42) SIGMAR1ACHE
SCHEMBL3556704 0.84 SIGMAR1 (0.39) SIGMAR1MAPTTHRBOPRM1TMEM97
SCHEMBL3561555 0.84 HTR2A (0.41) SIGMAR1LMNAMAPTTHRBACHE
SCHEMBL3554762 0.83 PARP1 (0.35) SIGMAR1MAPTTHRB
SCHEMBL3554778 0.82 ACHE (0.42) SIGMAR1ACHE
SCHEMBL3552025 0.79 HTR2A (0.42) SIGMAR1LMNAACHE
SCHEMBL3554614 0.79 HTR2C (0.42) SIGMAR1LMNAACHE
SCHEMBL3550916 0.79 HTR1A (0.45) SIGMAR1ACHE
SCHEMBL3559868 0.77 HTR2A (0.40)

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 5 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
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 SIGMAR1 249/4885LMNA 3911/4885GRM5 43/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SIGMAR1 260/4885LMNA 3803/4885GRM5 44/4885

“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.