SCHEMBL21989255

SCHEMBL21989255

COc1cccc(F)c1C1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
OPRL1 P41146 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA1B P35368 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL20955050 0.88 OPRM1 (0.69) OPRM1OPRL1MEN1KMT2ASIGMAR1
SCHEMBL1267136 0.83 OPRM1 (0.63) OPRM1OPRL1MEN1KMT2AMAPK1
SCHEMBL23660796 0.80 OPRM1 (0.69) OPRM1OPRL1MAPK1SIGMAR1ALDH1A1
SCHEMBL22057300 0.77 CA12 (0.50) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL22954489 0.77 OPRM1 (0.62) OPRM1OPRL1SIGMAR1
SCHEMBL23535116 0.77 OPRM1 (0.52) OPRM1OPRL1MAPK1SMN1; SMN2SIGMAR1
SCHEMBL29982566 0.77 OPRM1 (0.52) OPRM1OPRL1MAPK1SMN1; SMN2SIGMAR1
SCHEMBL373586 0.76 OPRM1 (0.81) OPRM1OPRL1MEN1KMT2ADRD4
SCHEMBL28889864 0.76 OPRM1 (0.63) OPRM1OPRL1MEN1KMT2AMAPK1
SCHEMBL4872137 0.75 OPRM1 (0.70) OPRM1OPRL1KMT2ASIGMAR1ALDH1A1

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-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 OPRM1 1519/4885OPRL1 2333/4885MEN1 1930/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 OPRM1 1433/4885OPRL1 2097/4885MEN1 2535/4885

“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.