SCHEMBL7466926

SCHEMBL7466926

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNC[C@H]1Cc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.66
UBE2N P61088 1/20 0.66
ATM Q13315 1/20 0.48
TACR1 P25103 8/20 0.48
MITF O75030 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
TACR3 P29371 1/20 0.43

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
SCHEMBL1256779 0.85 TACR1 (0.62) TACR1
SCHEMBL1512947 0.85 TACR1 (0.62) TACR1
SCHEMBL7829090 0.85 TACR1 (0.62) TACR1
Hydrochloric Acid SCHEMBL7823102 0.85 TACR1 (0.61) TACR1
Hydrochloric Acid SCHEMBL8487330 0.85 TACR1 (0.61) TACR1
SCHEMBL7823087 0.84 TACR1 (0.66) IDEUBE2NTACR1MITFCA1
SCHEMBL7463845 0.84 TACR1 (0.52) IDEUBE2NTACR1MITFCA1
SCHEMBL8478086 0.84 IDE (0.49) IDEUBE2NTACR1MITFCA1
Hydrochloric Acid SCHEMBL7815870 0.84 IDE (0.47) IDEUBE2NTACR1MITFCA1
SCHEMBL7122736 0.84 IDE (0.49) IDEUBE2NTACR1MITFCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP disclosed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 US disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 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 (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-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 IDE 3071/4885UBE2N 4365/4885ATM 4283/4885

“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.