SCHEMBL24738201

SCHEMBL24738201

CN(Cc1ccccc1)C1(C#N)COC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.41
AOC3 Q16853 1/20 0.39
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAOB P27338 2/20 0.38
USP2 O75604 1/20 0.38
MAOA P21397 1/20 0.38
PYCR1 P32322 1/20 0.38
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL75648 0.83 ALDH1A1 (0.44) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL3241413 0.83 OPRM1 (0.50) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL27875481 0.82 OPRM1 (0.49) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL13600125 0.79 OPRM1 (0.43) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL16486133 0.79 ALDH1A1 (0.38) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL18922802 0.78 ALDH1A1 (0.37) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL5674633 0.76 OPRM1 (0.57) OPRM1OPRL1ALDH1A1TSHRLMNA
SCHEMBL14690433 0.75 ALDH1A1 (0.40) OPRM1OPRL1ALDH1A1TSHRSMN1; SMN2
SCHEMBL9260981 0.75 OPRM1 (0.42) OPRM1OPRL1ALDH1A1TSHRAOC3
SCHEMBL9260990 0.75 OPRM1 (0.42) OPRM1OPRL1ALDH1A1TSHRAOC3

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 OPRM1 4239/4885OPRL1 3758/4885ALDH1A1 3026/4885

“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.