SCHEMBL3551438

SCHEMBL3551438

O=C1c2cc(Br)ccc2C[C@@H]2C(OC(=O)C(F)(F)F)NCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.39
HTR2C P28335 8/20 0.39
HTR2B P41595 7/20 0.39
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA4 P48169 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
IDO1 P14902 1/20 0.33
ABHD6 Q9BV23 3/20 0.33
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL3561671 0.92 HTR2A (0.39) HTR2AHTR2CHTR2BGABRG2GABRB3
SCHEMBL3556569 0.89 HTR2C (0.40) HTR2AHTR2CHTR2BXIAPKMT2A
SCHEMBL3561971 0.88 HTR2A (0.48) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL3555858 0.88 HTR2A (0.53) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL3556629 0.88 HTR2C (0.48) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL3559405 0.86 HTR2A (0.50) HTR2AHTR2CHTR2BGABRG2GABRB3
SCHEMBL3554181 0.86 HTR2A (0.52) HTR2AHTR2CHTR2BGABRG2GABRB3
SCHEMBL3563490 0.85 HTR2A (0.51) HTR2AHTR2CHTR2BGABRG2GABRB3
SCHEMBL3557257 0.83 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL3556795 0.82 HTR2C (0.48) HTR2AHTR2CHTR2BPARP10

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

“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.