SCHEMBL3557100

SCHEMBL3557100

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.48
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
SIGMAR1 Q99720 4/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
TACR1 P25103 3/20 0.39
HTR1A P08908 1/20 0.39
PARP1 P09874 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL3554758 0.93 DRD2 (0.43) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3553756 0.85 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3553758 0.85 HTR2A (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3565223 0.84 DRD2 (0.50) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3560318 0.84 HTR2A (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3565220 0.84 DRD2 (0.50) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3560321 0.84 HTR2A (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3551996 0.83 HTR2A (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3551992 0.83 HTR2A (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL13140722 0.82 HTR2A (0.45) DRD2HTR2AHTR2CHTR2BSIGMAR1

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DRD2 47/4885HTR2A 3/4885HTR2C 5/4885

“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.