SCHEMBL24118632

SCHEMBL24118632

C=C(CCNC(=O)c1ccc(C(F)(F)F)cn1)C(C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 15/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL24118075 0.82 USP36 (0.45) SMN1; SMN2LMNA
SCHEMBL24118232 0.80 EPHX2 (0.43) —
SCHEMBL24118337 0.80 SMN1; SMN2 (0.41) GCGRSMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL24117957 0.79 GCGR (0.46) GCGRSMN1; SMN2NPC1RAB9A
SCHEMBL24118074 0.79 SMN1; SMN2 (0.41) GCGRSMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL24118250 0.79 ALDH1A1 (0.54) LMNAALDH1A1RAB9A
SCHEMBL24118252 0.79 GCGR (0.38) GCGRSMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL24118187 0.78 IDO1 (0.56) GCGRSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL24118233 0.78 IDO1 (0.56) GCGRSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL19316520 0.78 P4HTM (0.58) SMN1; SMN2NPC1ALDH1A1GAARAB9A

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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — 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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 GCGR 3754/4885SMN1; SMN2 2675/4885LMNA 4578/4885

“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.

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