SCHEMBL9016286

SCHEMBL9016286

CCc1ccc(OC)nc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
PDE10A Q9Y233 12/20 0.44
TXNRD1 Q16881 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
PDE7B Q9NP56 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14032509 0.82 NNMT (0.49) NNMTPDE10APOLBTDP1PDE2A
SCHEMBL14032510 0.82 NNMT (0.44) NNMTPDE10APOLBTDP1PDE2A
SCHEMBL1904976 0.82 NNMT (0.49) NNMTPDE10APOLBTDP1PDE2A
SCHEMBL25624100 0.82 NNMT (0.44) NNMTPDE10APOLBTDP1PDE2A
SCHEMBL17164641 0.81 NNMT (0.45) NNMTPDE10ATXNRD1POLBTDP1
SCHEMBL1923109 0.80 NNMT (0.51) NNMTPDE10APOLBTDP1MTNR1A
SCHEMBL9908276 0.79 POLB (0.52) NNMTPDE10ATXNRD1POLBTDP1
SCHEMBL14543403 0.79 NNMT (0.42) NNMTPDE10APDE2APDE5APDE4A
SCHEMBL18314711 0.78 TXNRD1 (0.38) NNMTPDE10ATXNRD1POLBTDP1
Ammonia Solution, Strong SCHEMBL28412452 0.78 TXNRD1 (0.38) NNMTPDE10ATXNRD1POLBTDP1

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 6 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-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
WO-2021023209-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京志健金瑞生物医药科技有限公司 2021-02-11 WO disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 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 (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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NNMT 4068/4885PDE10A 594/4885TXNRD1 3142/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NNMT 4068/4885PDE10A 594/4885TXNRD1 3142/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 NNMT 3598/4885PDE10A 1036/4885TXNRD1 2312/4885

“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.