SCHEMBL21995895

SCHEMBL21995895

Cc1c(C(F)F)cccc1N1CCN(C(=O)Cn2nc(C(=O)O)c3c2CC2CC32)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.61
MAPT P10636 6/20 0.40
ALOX15 P16050 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CXCR3 P49682 1/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 3/20 0.37
CCR1 P32246 1/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL21996029 1.00 IDO1 (0.61) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL30128911 0.90 IDO1 (0.58) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL21996092 0.90 IDO1 (0.64) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL21995908 0.89 IDO1 (0.71) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL21995973 0.89 IDO1 (0.71) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL24878342 0.89 IDO1 (0.69) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL31011264 0.89 IDO1 (0.69) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL21855563 0.87 IDO1 (0.64) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL21995966 0.87 IDO1 (0.64) IDO1MAPTALOX15NPC1RAB9A
SCHEMBL21995743 0.86 IDO1 (0.61) IDO1MAPTALOX15NPC1RAB9A

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 3 patents. 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
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 WO 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 1/4885MAPT 2271/4885ALOX15 633/4885

“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.