SCHEMBL1617419

SCHEMBL1617419

O=C1CCN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.50
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CXCR3 P49682 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
PNMT P11086 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
DRD2 P14416 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
Bromide SCHEMBL3663120 0.90 TACR1 (0.42) TACR1DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL3997201 0.89 TACR1 (0.52) TACR1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL6440867 0.84 TACR1 (0.65) TACR1DRD4SIGMAR1GRIN1GRIN2B
SCHEMBL6440459 0.82 TACR1 (0.64) TACR1DRD4SIGMAR1ESR1ESR2
SCHEMBL1400959 0.82 TACR1 (0.61) TACR1SIGMAR1CHRM2CHRM3GRIN1
SCHEMBL3902021 0.81 TACR1 (0.54) TACR1SIGMAR1
Morpholine SCHEMBL7184584 0.79 SIGMAR1 (0.43) TACR1DRD4SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL1617121 0.79 SLC6A2 (0.41) DRD4SLC6A2SLC6A4SLC6A3CXCR3
SCHEMBL6439506 0.79 TACR1 (0.54) TACR1DRD4SIGMAR1GRIN1GRIN2B
SCHEMBL1617423 0.77 TACR1 (0.56) TACR1SIGMAR1GRIN1GRIN2BPNMT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
CN-1229373-C Piperidinee derivatives as neurokinin/antagonists HOFFMANN LA ROCHE (CH) 2005-11-30 CN disclosed
EP-1360184-B1 PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
CN-1491222-A piperidine derivatives as neurokinin 1 antagonists - 2004-04-21 CN disclosed
EP-1360184-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-12 EP disclosed
US-6642226-B2 Such as cis-(3,5-bis-trifluoromethyl-phenyl)-(4-(4-methyl-piperazin-1-yl),-3-phenyl -piperidin-1-yl)-methanone; for treatment of diseases related to neurokinin receptors HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20020151547-A1 Substituted phenyl-piperidine methanone compounds F.HOFFMANN-LA ROCHE AG (CH) 2002-10-17 US disclosed
WO-2002062784-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 WO 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-20020151547-A1 Substituted phenyl-piperidine methanone compounds TACR1, OPRK1, TACR2 TACR1 1/4885DRD4 66/4885SLC6A2 3126/4885
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 TACR1 1162/4885DRD4 1105/4885SLC6A2 544/4885

“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.