SCHEMBL24878765

SCHEMBL24878765

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)O)c4c3CCCC4)CC2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
ALOX15 P16050 2/20 0.49
CCR1 P32246 4/20 0.44
MAPT P10636 6/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CXCR3 P49682 1/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL21995747 0.90 MAPT (0.54) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL21996027 0.90 ALOX15 (0.49) IDO1ALOX15CCR1MAPTALDH1A1
SCHEMBL31011265 0.89 MAPT (0.55) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL21995945 0.89 MAPT (0.55) IDO1ALOX15MAPTALDH1A1KDM4E
SCHEMBL21995912 0.89 IDO1 (0.51) IDO1ALOX15CCR1MAPTALDH1A1
SCHEMBL31384599 0.89 IDO1 (0.51) IDO1ALOX15CCR1MAPTALDH1A1
SCHEMBL21996126 0.87 IDO1 (0.60) IDO1ALOX15CCR1MAPTALDH1A1
SCHEMBL21995755 0.84 ALOX15 (0.47) IDO1ALOX15CCR1MAPTALDH1A1
SCHEMBL24878527 0.83 IDO1 (0.75) IDO1ALOX15CCR1MAPTALDH1A1
SCHEMBL30129505 0.83 IDO1 (0.75) IDO1ALOX15CCR1MAPTALDH1A1

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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885ALOX15 633/4885CCR1 1632/4885

“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.