SCHEMBL7122742

SCHEMBL7122742

CC(c1c[nH]c2ccccc12)[C@@H]1CNCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.45
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL8475997 0.83 TACR1 (0.39) TACR1
SCHEMBL7823350 0.83 TACR1 (0.39) TACR1
SCHEMBL7120490 0.81 TACR1 (0.46) TACR1
SCHEMBL7829090 0.78 TACR1 (0.62) TACR1
SCHEMBL1512947 0.78 TACR1 (0.62) TACR1
SCHEMBL1256779 0.78 TACR1 (0.62) TACR1
Hydrochloric Acid SCHEMBL7823102 0.77 TACR1 (0.61) TACR1
Hydrochloric Acid SCHEMBL8487330 0.77 TACR1 (0.61) TACR1
SCHEMBL8120073 0.76 TACR1 (0.54) TACR1
Hydrochloric Acid SCHEMBL8147368 0.75 TACR1 (0.47) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176144-B1 N-triazolylmethyl-piperazine derivatives as neurokinine receptor-antagonists SOLVAY PHARM GMBH (DE) 2003-07-09 EP disclosed
US-6407106-B1 FOR THERAPY OF INFLAMMATORY DISTURBANCES OF THE GASTROINTESTINAL TRACT SOLVAY PHARMACEUTICALS GMBH (DE) 2002-06-18 US disclosed
US-20020065276-A1 N-triazolymethyl-piperazine compounds with neurokinin-receptor antagonist activity SOLVAY PHARMACEUTICALS GMBH (DE) 2002-05-30 US disclosed
EP-1176144-A1 N-triazolylmethyl-piperazine derivatives as neurokinine receptor-antagonists Solvay Pharmaceuticals GmbH (DE) 2002-01-30 EP disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 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 (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-20020065276-A1 N-triazolymethyl-piperazine compounds with neurokinin-receptor antagonist activity NPSR1, NTSR2, NTSR1 TACR1 5/4885MEN1 1185/4885ALDH1A1 2555/4885

“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.