SCHEMBL23569719

SCHEMBL23569719

Cc1cncnc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
CHRM4 P08173 2/20 0.36
SLC9A1 P19634 7/20 0.35
CYP17A1 P05093 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
OPRL1 P41146 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TMEM97 Q5BJF2 1/20 0.30

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
SCHEMBL14818623 0.92 CHRM4 (0.38) CYP11B2CHRM4SLC9A1CYP17A1CYP1A2
SCHEMBL15966068 0.90 CHRM4 (0.40) CYP11B2CHRM4SLC9A1CYP17A1CYP1A2
SCHEMBL527785 0.74 CYP11B2 (0.35) CYP11B2CYP17A1CYP1A2
SCHEMBL25594126 0.74 CYP11B2 (0.35) CYP11B2CYP17A1CYP1A2
SCHEMBL25790649 0.74 ATR (0.35) CYP11B2CHRM4CYP17A1CYP1A2CYP3A4
SCHEMBL22445433 0.74 CYP11B2 (0.33) CYP11B2CYP17A1CYP1A2
SCHEMBL14831619 0.74 CYP11B2 (0.33) CYP11B2SLC9A1CYP17A1CYP1A2TMEM97
SCHEMBL25718368 0.74 CYP11B2 (0.33) CYP11B2CYP17A1CYP1A2
SCHEMBL25719796 0.74 CYP11B2 (0.33) CYP11B2CYP17A1CYP1A2CYP3A4ALDH1A1
SCHEMBL25615714 0.72 CHRM4 (0.40) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-08-03 US disclosed
WO-2023125928-A1 MENIN INHIBITOR AND USE THEREOF 成都先导药物开发股份有限公司 2023-07-06 WO disclosed
US-20230142285-A1 SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230142285-A1 SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
WO-2022237719-A1 COMBINATION THERAPIES JANSSEN PHARMACEUTICA NV (BE) 2022-11-17 WO disclosed
WO-2021121327-A1 SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 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 (3 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-20230242524-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV CYP11B2 4684/4885CHRM4 1693/4885SLC9A1 2579/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 CYP11B2 1325/4885CHRM4 2517/4885SLC9A1 419/4885
US-20230142285-A1 SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES MLLT1, MEN1, MLLT3 CYP11B2 1610/4885CHRM4 4855/4885SLC9A1 4291/4885

“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.