SCHEMBL3554968

SCHEMBL3554968

O=C1c2cc(C(F)(F)F)ccc2C[C@@H]2CN(Cc3ccccc3)CCN12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
HTR2B P41595 3/20 0.55
DRD2 P14416 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
ACHE P22303 3/20 0.43
BCHE P06276 2/20 0.43
BACE1 P56817 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
S1PR1 P21453 1/20 0.42
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
S1PR5 Q9H228 1/20 0.42
DRD4 P21917 1/20 0.41
CHRM3 P20309 1/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL3554972 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2MEN1
Trifluoroacetic Acid SCHEMBL3561552 0.95 HTR2A (0.51) HTR2AHTR2CHTR2BDRD2MEN1
SCHEMBL3553570 0.92 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2MEN1
SCHEMBL3553573 0.92 HTR2A (0.55) HTR2AHTR2CHTR2BDRD2MEN1
Trifluoroacetic Acid SCHEMBL3554622 0.87 HTR2A (0.51) HTR2AHTR2CHTR2BDRD2MEN1
SCHEMBL3558239 0.86 DRD2 (0.47) HTR2AHTR2CHTR2BDRD2ACHE
SCHEMBL3558235 0.86 DRD2 (0.47) HTR2AHTR2CHTR2BDRD2ACHE
SCHEMBL3554004 0.84 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3553999 0.84 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2SIGMAR1
SCHEMBL3558652 0.84 DRD2 (0.47) HTR2AHTR2CHTR2BDRD2ACHE

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 13 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-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
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO 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.