SCHEMBL3554762

SCHEMBL3554762

O=C1c2c(CF)cccc2C[C@@H]2C(OC(=O)C(F)(F)F)N(Cc3ccccc3)CCN12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.35
PARP2 Q9UGN5 1/20 0.34
HTR1A P08908 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
PREP P48147 2/20 0.33
SIGMAR1 Q99720 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 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
SCHEMBL3552025 0.89 HTR2A (0.42) PARP1PARP2KDM4EALDH1A1ATM
SCHEMBL3550916 0.88 HTR1A (0.45) HTR1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3556341 0.83 SIGMAR1 (0.33) SIGMAR1MAPTTHRB
SCHEMBL3561555 0.79 HTR2A (0.41) KDM4EALDH1A1ATMSIGMAR1HTR2A
SCHEMBL3554628 0.79 HTR2A (0.41) KDM4EALDH1A1ATMSIGMAR1HTR2A
SCHEMBL3556704 0.79 SIGMAR1 (0.39) KDM4EALDH1A1SIGMAR1MAPTTHRB
SCHEMBL3554614 0.78 HTR2C (0.42) KDM4EALDH1A1ATMSIGMAR1HTR2C
SCHEMBL3554778 0.78 ACHE (0.42) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3558087 0.78 ACHE (0.42) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3555441 0.77 HTR2C (0.41) PARP1HTR2AHTR2CHTR2B

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 PARP1 3355/4885PARP2 4023/4885HTR1A 2/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B PARP1 3323/4885PARP2 4023/4885HTR1A 2/4885

“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.