SCHEMBL4022843

SCHEMBL4022843

N=C(CN1CC(=O)N[C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1)NNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 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
SCHEMBL4022845 1.00 TACR1 (0.43) TACR1
SCHEMBL4029698 0.87 TACR1 (0.57) TACR1
Hydrochloric Acid SCHEMBL4029674 0.86 TACR1 (0.56) TACR1
SCHEMBL4024411 0.83 TACR1 (0.52) TACR1
SCHEMBL4022627 0.83 TACR1 (0.46) TACR1
SCHEMBL4022633 0.83 TACR1 (0.46) TACR1
SCHEMBL4030817 0.81 TACR1 (0.44) TACR1
Hydrochloric Acid SCHEMBL4023505 0.80 TACR1 (0.43) TACR1
SCHEMBL4022572 0.78 TACR1 (0.49) TACR1
SCHEMBL4027509 0.77 TACR1 (0.50) 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 4 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 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 11/4885

“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.