SCHEMBL20616636

SCHEMBL20616636

Cc1cc(F)ccc1[C@H]1CNCCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.69
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60

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
SCHEMBL29721650 1.00 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL5006410 1.00 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL4789442 1.00 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
SCHEMBL19031827 1.00 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5008635 0.99 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4087130 0.99 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5005222 0.99 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4087127 0.99 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5005218 0.99 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5005220 0.99 TACR1 (0.69) TACR1CYP3A4CYP2D6CYP2C9

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-11324832-B2 Tripartite modulators of endosomal G protein-coupled receptors ENDOSOME THERAPEUTICS, INC. (US) 2022-05-10 US disclosed
US-20190000981-A1 TRIPARTITE MODULATORS OF ENDOSOMAL G PROTEIN-COUPLED RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-03 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 (2 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-20190000981-A1 TRIPARTITE MODULATORS OF ENDOSOMAL G PROTEIN-COUPLED RECEPTORS NTSR1, NTSR2, MRGPRX2 TACR1 16/4885CYP3A4 4089/4885CYP2D6 4086/4885
US-11324832-B2 Tripartite modulators of endosomal G protein-coupled receptors NTSR1, NTSR2, MRGPRX2 TACR1 16/4885CYP3A4 4089/4885CYP2D6 4086/4885

“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.