SCHEMBL30056167

SCHEMBL30056167

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)Nc3ccc(F)c(F)c3)(C1)C2

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.74
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KCNJ6 P48051 1/20 0.41
▸ KCNJ5 P48544 1/20 0.41
▸ KCNJ3 P48549 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 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
SCHEMBL21496551 0.92 IDO1 (0.73) IDO1MEN1KMT2AEPHX2MAPT
SCHEMBL21496552 0.92 IDO1 (0.73) IDO1MEN1KMT2AEPHX2MAPT
SCHEMBL24118278 0.90 IDO1 (0.76) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL30057673 0.90 IDO1 (0.76) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL30056965 0.87 IDO1 (0.74) IDO1MEN1ALDH1A1KMT2ARAB9A
SCHEMBL24117963 0.85 IDO1 (1.00) IDO1
SCHEMBL24118078 0.85 IDO1 (1.00) IDO1
SCHEMBL21496550 0.83 IDO1 (0.58) IDO1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21496549 0.83 IDO1 (0.58) IDO1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL30054864 0.83 IDO1 (0.58) IDO1MEN1KMT2ARAB9ASMN1; SMN2

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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2022-10-25 — — 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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU IDO1 1/4885MEN1 1030/4885ALDH1A1 133/4885

“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.

Send feedback