SCHEMBL3553519

SCHEMBL3553519

FC(F)(F)c1ccc(CC2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.55
BCHE P06276 4/20 0.54
ACHE P22303 4/20 0.54
BACE1 P56817 4/20 0.54
LTA4H P09960 1/20 0.54
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MLNR O43193 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
KCNH2 Q12809 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3553516 1.00 TACR1 (0.55) TACR1BCHEACHEBACE1LTA4H
Hydrochloric Acid SCHEMBL5368301 0.99 TACR1 (0.54) TACR1BCHEACHEBACE1LTA4H
SCHEMBL3491795 0.88 LTA4H (0.61) TACR1BCHEACHEBACE1LTA4H
SCHEMBL24350 0.88 LTA4H (0.61) TACR1BCHEACHEBACE1LTA4H
SCHEMBL18325 0.88 LTA4H (0.61) TACR1BCHEACHEBACE1LTA4H
SCHEMBL4289527 0.88 TACR1 (0.59) TACR1BCHEACHEBACE1LTA4H
SCHEMBL27573513 0.86 LTA4H (0.57) TACR1BCHEACHEBACE1LTA4H
SCHEMBL3493484 0.86 LTA4H (0.57) TACR1BCHEACHEBACE1LTA4H
Hydrochloric Acid SCHEMBL27471264 0.85 HIF1A (0.49) TACR1BCHEACHEBACE1LTA4H
SCHEMBL5361052 0.84 LTA4H (0.58) TACR1BCHEACHEBACE1LTA4H

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 8 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
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
CN-1334812-A Piperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2002-02-06 CN 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 TACR1 59/4885BCHE 2196/4885ACHE 746/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B TACR1 49/4885BCHE 2329/4885ACHE 680/4885

“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.