SCHEMBL4022546

SCHEMBL4022546

Cc1ccc([C@H]2[C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)NC(=O)CN2Cc2n[nH]c(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.53
TACR3 P29371 2/20 0.51
TACR2 P21452 1/20 0.51
NR3C1 P04150 1/20 0.45
CYP3A4 P08684 1/20 0.45
FPR1 P21462 1/20 0.45
GPR183 P32249 1/20 0.45
OPRD1 P41143 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GPR35 Q9HC97 1/20 0.45

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
SCHEMBL4020549 0.93 TACR1 (0.62) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4023089 0.92 TACR1 (0.61) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4021064 0.92 TACR1 (0.61) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4021453 0.85 TACR1 (0.53) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4021082 0.83 TACR1 (0.51) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4024411 0.79 TACR1 (0.52) TACR1TACR3TACR2
SCHEMBL4027731 0.78 TACR1 (0.66) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4020694 0.78 TACR1 (0.60) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL4026287 0.78 TACR1 (0.44) TACR1TACR3TACR2
Hydrochloric Acid SCHEMBL4021098 0.78 TACR1 (0.65) TACR1TACR3TACR2NR3C1CYP3A4

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-1338592-B1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2009-01-21 EP claimed
EP-1338592-A1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2003-08-27 EP claimed
EP-1338592-B1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2009-01-21 EP disclosed
US-6906074-B2 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2005-06-14 US disclosed
US-20030166616-A1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1338592-A1 Novel 2-phenylpiperazine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2003-08-27 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-20030166616-A1 Novel 2-phenylpiperazine derivatives VIPR2, BDKRB2, TRPC5 TACR1 11/4885TACR3 163/4885TACR2 13/4885

“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.