SCHEMBL3551992

SCHEMBL3551992

O=C1c2c(cccc2C(F)(F)F)C[C@@H]2CN(Cc3ccccc3)CCN12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.56
HTR2C P28335 4/20 0.56
HTR2B P41595 4/20 0.56
DRD2 P14416 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PARP1 P09874 3/20 0.43
PARP2 Q9UGN5 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
C5AR1 P21730 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3551996 1.00 HTR2A (0.56) HTR2AHTR2CHTR2BDRD2KDM4E
Trifluoroacetic Acid SCHEMBL3552021 0.95 HTR2A (0.52) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL3553756 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3553758 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3557100 0.83 DRD2 (0.48) HTR2AHTR2CHTR2BDRD2KDM4E
SCHEMBL3560318 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2PARP1
SCHEMBL3565220 0.83 DRD2 (0.50) HTR2AHTR2CHTR2BDRD2PARP1
SCHEMBL3560321 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2PARP1
SCHEMBL3565223 0.83 DRD2 (0.50) HTR2AHTR2CHTR2BDRD2PARP1
SCHEMBL3550885 0.83 HTR2C (0.56) HTR2AHTR2CHTR2BDRD2KDM4E

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 10 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-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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 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-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 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.