SCHEMBL3554778

SCHEMBL3554778

COc1ccc2c(c1)C(=O)N1CCN(Cc3ccccc3)C(OC(=O)C(F)(F)F)[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
BACE1 P56817 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
DRD2 P14416 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL3558087 0.93 ACHE (0.42) ACHEHTR2AHTR2CHTR2BBACE1
SCHEMBL3556704 0.88 SIGMAR1 (0.39) SIGMAR1
SCHEMBL3561555 0.88 HTR2A (0.41) ACHEHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3550916 0.82 HTR1A (0.45) ACHEHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554628 0.82 HTR2A (0.41) ACHEHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3556341 0.82 SIGMAR1 (0.33) ACHESIGMAR1
SCHEMBL3552025 0.78 HTR2A (0.42) ACHEHTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554762 0.78 PARP1 (0.35) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3554614 0.78 HTR2C (0.42) ACHEHTR2CHTR2BSIGMAR1TDP1
Trifluoroacetic Acid SCHEMBL3554776 0.78 HTR2A (0.48) ACHEHTR2AHTR2CHTR2BBACE1

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 ACHE 746/4885HTR2A 3/4885HTR2C 5/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B ACHE 680/4885HTR2A 4/4885HTR2C 6/4885

“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.