SCHEMBL23780200

SCHEMBL23780200

CC(C)(C)OC(=O)N1CCC(c2cccc3c2CC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
GPR119 Q8TDV5 5/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
KDM1A O60341 1/20 0.47
PKM P14618 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
STS P08842 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL23980883 0.86 DDB1 (0.47) NAMPTDDB1CRBNGPR119KDM4E
SCHEMBL14591408 0.86 DDB1 (0.47) NAMPTDDB1CRBNGPR119KDM4E
SCHEMBL29586774 0.84 DDB1 (0.56) NAMPTDDB1CRBNMAPTTHRB
SCHEMBL21326156 0.84 DDB1 (0.56) NAMPTDDB1CRBNMAPTTHRB
SCHEMBL14591370 0.82 RECQL (0.45) NAMPTDDB1CRBNGPR119KDM1A
SCHEMBL16135233 0.82 DDB1 (0.54) NAMPTDDB1CRBNGPR119KDM4E
SCHEMBL23980881 0.81 LMNA (0.51) NAMPTDDB1CRBNGPR119MAPT
SCHEMBL26100307 0.81 MAPK1 (0.50) NAMPTDDB1CRBNGPR119KDM4E
SCHEMBL19358133 0.81 DDB1 (0.61) NAMPTDDB1CRBNGPR119KDM4E
SCHEMBL3436365 0.80 GPR119 (0.58) NAMPTGPR119KDM4EMAPTTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873464-B1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-30 EP disclosed
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2024-09-17 US disclosed
US-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-23 US disclosed
EP-3873464-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP 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 (2 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-20210395240-A1 NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 NAMPT 147/4885DDB1 2694/4885CRBN 3925/4885
US-12091405-B2 Substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU NAMPT 102/4885DDB1 2990/4885CRBN 3789/4885

“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.