SCHEMBL5524672

SCHEMBL5524672

C[C](C)C(C1[C@H]2CC[C@@H](OCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)[C@H]2CN1C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.43
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4990288 0.84 TACR1 (0.44) TACR1
SCHEMBL3177449 0.77 TACR1 (0.58) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL4987253 0.77 TACR1 (0.58) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL8326300 0.72 TACR1 (0.61) TACR1
SCHEMBL8326297 0.72 TACR1 (0.61) TACR1
SCHEMBL7181141 0.71 TACR1 (0.53) TACR1
SCHEMBL7181548 0.71 TACR1 (0.53) TACR1
SCHEMBL7181133 0.71 TACR1 (0.53) TACR1
SCHEMBL5024862 0.71 TACR1 (0.48) TACR1
SCHEMBL7178198 0.71 TACR1 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 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-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885CYP3A4 3228/4885CYP2C8 3154/4885

“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.