SCHEMBL3558812

SCHEMBL3558812

O=C1c2c(Br)cccc2C[C@@H]2C(OC(=O)C(F)(F)F)NCCN12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.39
HTR2B P41595 13/20 0.39
HTR2A P28223 12/20 0.39
MEN1 O00255 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KMT2A Q03164 1/20 0.34
GABRA6 Q16445 1/20 0.34
ABHD6 Q9BV23 2/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL3558565 0.88 HTR2C (0.53) HTR2CHTR2BHTR2APARP1
SCHEMBL3552919 0.88 HTR2A (0.48) HTR2CHTR2BHTR2A
SCHEMBL3557891 0.88 HTR2C (0.48) HTR2CHTR2BHTR2AMEN1KMT2A
SCHEMBL3557042 0.86 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL3555441 0.86 HTR2C (0.41) HTR2CHTR2BHTR2APARP1
SCHEMBL3555177 0.86 HTR2C (0.50) HTR2CHTR2BHTR2AKDM1A
SCHEMBL5618228 0.86 HTR2A (0.50) HTR2CHTR2BHTR2APARP1
SCHEMBL3554428 0.84 HTR2C (0.39) HTR2CHTR2BHTR2AABHD6
SCHEMBL3554372 0.82 HTR2C (0.38) HTR2CHTR2BHTR2A
SCHEMBL3558878 0.81 HTR2C (0.40) HTR2CHTR2BHTR2A

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 claimed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US claimed
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 HTR2C 5/4885HTR2B 4/4885HTR2A 3/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2C 6/4885HTR2B 3/4885HTR2A 4/4885

“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.