SCHEMBL29639839

SCHEMBL29639839

CC(C(=O)Nc1ccc(F)cc1)C12CC(Nc3ccc(C(F)(F)F)cn3)(C1)C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.56
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PANK3 Q9H999 1/20 0.40

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
SCHEMBL23572590 1.00 IDO1 (0.56) IDO1NPC1RAB9AKDM4EPKM
SCHEMBL23271127 0.86 IDO1 (0.56) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL29639827 0.86 IDO1 (0.56) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL23271191 0.85 IDO1 (0.60) IDO1KDM4ELMNASMN1; SMN2
SCHEMBL24118631 0.85 IDO1 (0.64) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL21496334 0.85 IDO1 (0.64) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL30055628 0.85 IDO1 (0.64) IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL29639861 0.85 IDO1 (0.60) IDO1KDM4ELMNASMN1; SMN2
SCHEMBL23271123 0.82 IDO1 (0.52) IDO1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23572599 0.82 IDO1 (0.54) IDO1

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-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — 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-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 IDO1 1/4885NPC1 1298/4885RAB9A 2827/4885

“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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