SCHEMBL4157524

SCHEMBL4157524

CC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(N(C)C(=O)c3ccc(Cl)c(C(F)(F)F)c3)C(c3ccc(F)cc3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.58
TACR1 P25103 18/20 0.58
TAC3 Q9UHF0 6/20 0.56
TACR3 P29371 2/20 0.48
HSD11B1 P28845 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
SCHEMBL4157533 1.00 TACR2 (0.58) TACR2TACR1TAC3TACR3HSD11B1
SCHEMBL4157529 1.00 TACR2 (0.58) TACR2TACR1TAC3TACR3HSD11B1
SCHEMBL4144734 0.92 TACR2 (0.54) TACR2TACR1TAC3TACR3
SCHEMBL4144737 0.92 TACR2 (0.54) TACR2TACR1TAC3TACR3
SCHEMBL4144730 0.92 TACR2 (0.54) TACR2TACR1TAC3TACR3
SCHEMBL4144370 0.90 TACR2 (0.71) TACR2TACR1TAC3TACR3
SCHEMBL4144372 0.90 TACR2 (0.71) TACR2TACR1TAC3TACR3
SCHEMBL4154010 0.87 TACR1 (0.64) TACR2TACR1TAC3TACR3
SCHEMBL4154014 0.87 TACR1 (0.64) TACR2TACR1TAC3TACR3
SCHEMBL4154005 0.87 TACR1 (0.64) TACR2TACR1TAC3TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT TACR2 19/4885TACR1 9/4885TAC3 47/4885

“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.