SCHEMBL7122736

SCHEMBL7122736

Cn1cc(C[C@@H]2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.49
UBE2N P61088 1/20 0.49
TACR1 P25103 16/20 0.45
MITF O75030 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
TACR2 P21452 1/20 0.42

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
SCHEMBL8478086 1.00 IDE (0.49) IDEUBE2NTACR1MITFCA1
SCHEMBL7825901 0.85 TACR1 (0.51) TACR1CA1CA2CA4CA9
SCHEMBL8480574 0.85 TACR1 (0.51) TACR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL8478985 0.84 TACR1 (0.50) TACR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7815938 0.84 TACR1 (0.50) TACR1CA1CA2CA4CA9
SCHEMBL7466926 0.84 IDE (0.66) IDEUBE2NTACR1MITFCA1
SCHEMBL7829861 0.83 TACR1 (0.49) TACR1CA1CA2CA4CA9
SCHEMBL1256779 0.81 TACR1 (0.62) TACR1
SCHEMBL7829090 0.81 TACR1 (0.62) TACR1
SCHEMBL1512947 0.81 TACR1 (0.62) 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-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP 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 IDE 3344/4885UBE2N 2995/4885TACR1 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.