SCHEMBL3998480

SCHEMBL3998480

CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C4CC4)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 1.00
TACR1 P25103 18/20 1.00
TAC3 Q9UHF0 6/20 0.88
TACR3 P29371 3/20 0.67

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
SCHEMBL3998484 1.00 TACR2 (1.00) TACR2TACR1TAC3TACR3
SCHEMBL4142084 0.96 TACR2 (0.92) TACR2TACR1TAC3TACR3
SCHEMBL4142087 0.96 TACR2 (0.92) TACR2TACR1TAC3TACR3
SCHEMBL4149699 0.94 TACR2 (0.90) TACR2TACR1TAC3TACR3
SCHEMBL3996944 0.94 TACR2 (1.00) TACR2TACR1TAC3TACR3
SCHEMBL4157659 0.94 TACR2 (0.90) TACR2TACR1TAC3TACR3
SCHEMBL3996940 0.94 TACR2 (1.00) TACR2TACR1TAC3TACR3
SCHEMBL4156812 0.94 TACR2 (1.00) TACR2TACR1TAC3TACR3
SCHEMBL4147319 0.94 TACR2 (0.89) TACR2TACR1TAC3TACR3
SCHEMBL4147322 0.94 TACR2 (0.89) 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 5 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 claimed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US claimed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO claimed
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.