SCHEMBL21780754

SCHEMBL21780754

Cc1cnc(N2CCNC(=O)C2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
OPRL1 P41146 4/20 0.48
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 6/20 0.41
CASP1 P29466 6/20 0.41
CASP7 P55210 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 3/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND3 P30281 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
SCHEMBL15509230 0.86 OPRM1 (0.46) OPRM1OPRL1AOC3ALDH1A1CYP1A2
SCHEMBL19105573 0.85 OPRM1 (0.46) OPRM1OPRL1AOC3ALDH1A1CYP1A2
SCHEMBL19145317 0.82 OPRM1 (0.50) OPRM1OPRL1AOC3ALDH1A1CYP1A2
SCHEMBL19117494 0.81 AOC3 (0.49) OPRM1OPRL1AOC3ALDH1A1CYP1A2
SCHEMBL26342031 0.80 OPRM1 (0.44) OPRM1OPRL1AOC3ALDH1A1CYP1A2
SCHEMBL26352347 0.80 AOC3 (0.43) OPRM1OPRL1AOC3ALDH1A1CYP1A2
SCHEMBL9486237 0.78 ALDH1A1 (0.54) ALDH1A1CYP1A2CASP1CASP7HPGD
Hydrochloric Acid SCHEMBL8579574 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2CASP1CASP7HPGD
Hydrochloric Acid SCHEMBL10410648 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2CASP1CASP7HPGD
SCHEMBL25310063 0.75 AOC3 (0.44) OPRM1OPRL1AOC3ALDH1A1PRKCH

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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 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 (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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 OPRM1 5/4885OPRL1 3/4885AOC3 1035/4885

“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.