SCHEMBL24118616

SCHEMBL24118616

C=C(CCNC(=O)c1ccc(C#N)c(C)c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.41
▸ S1PR3 Q99500 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ S1PR1 P21453 3/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ AR P10275 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ S1PR2 O95136 1/20 0.37

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
SCHEMBL24118086 0.90 IDO1 (0.42) NAMPTS1PR3MEN1KMT2APOLB
SCHEMBL24118073 0.87 ALDH1A1 (0.46) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL24118311 0.87 ALDH1A1 (0.46) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL24118259 0.85 POLB (0.44) NAMPTS1PR3MEN1KMT2APOLB
SCHEMBL24118244 0.85 ALDH1A1 (0.51) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL24117930 0.83 CYP1A2 (0.49) NAMPTS1PR3MEN1KMT2APOLB
SCHEMBL24117949 0.83 IDO1 (0.53) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL24118272 0.81 MEN1 (0.44) NAMPTMEN1KMT2APOLBALDH1A1
SCHEMBL24118384 0.81 AR (0.41) NAMPTS1PR3S1PR1ARS1PR2
SCHEMBL24118248 0.80 POLB (0.56) MEN1KMT2APOLBLMNAMAPT

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 NAMPT 264/4885S1PR3 2335/4885MEN1 1667/4885

“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