SCHEMBL3996753

SCHEMBL3996753

CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(OC(F)F)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.82
TACR1 P25103 18/20 0.82
TAC3 Q9UHF0 6/20 0.82
TACR3 P29371 3/20 0.61

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
SCHEMBL4000753 1.00 TACR2 (0.82) TACR2TACR1TAC3TACR3
SCHEMBL3996754 1.00 TACR2 (0.82) TACR2TACR1TAC3TACR3
SCHEMBL4153262 0.90 TACR2 (1.00) TACR2TACR1TAC3TACR3
SCHEMBL4149603 0.90 TACR2 (1.00) TACR2TACR1TAC3TACR3
SCHEMBL4144827 0.89 TACR2 (0.82) TACR2TACR1TAC3TACR3
SCHEMBL4157651 0.89 TACR2 (0.82) TACR2TACR1TAC3TACR3
SCHEMBL4150282 0.88 TACR2 (0.86) TACR2TACR1TAC3TACR3
SCHEMBL4150284 0.88 TACR2 (0.86) TACR2TACR1TAC3TACR3
SCHEMBL4157659 0.88 TACR2 (0.90) TACR2TACR1TAC3TACR3
SCHEMBL4156812 0.88 TACR2 (1.00) 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 3 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
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO 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.