SCHEMBL19145498

SCHEMBL19145498

Cc1cnc(N2CCC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.41
▸ AR P10275 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ IP6K1 Q92551 1/20 0.36

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
SCHEMBL19105608 0.79 AR (0.37) CNR2ARCYP1A2CYP2C9CYP2C19
SCHEMBL22519009 0.78 AR (0.39) CNR2ARALDH1A1MAPTHTR3A
SCHEMBL29404134 0.78 SMO (0.42) CNR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL19121825 0.77 CNR2 (0.50) CNR2ARALDH1A1CYP1A2MAPT
SCHEMBL20640242 0.74 CNR2 (0.41) CNR2ARALDH1A1CYP1A2MAPT
SCHEMBL30298014 0.74 UHRF1 (0.48) CNR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL14256879 0.74 CYP1A2 (0.46) CNR2ALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL17696425 0.71 SMN1; SMN2 (0.44) CNR2ALDH1A1MAPTIP6K1KDM4E
SCHEMBL24196359 0.70 AR (0.42) CNR2ARALDH1A1MAPTGRIN2D
SCHEMBL1100741 0.70 UHRF1 (0.48) CNR2ALDH1A1CYP1A2MAPTCYP2C9

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 5 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-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 — — EP 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
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 — — 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-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CNR2 6/4885AR 274/4885ALDH1A1 337/4885

“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.

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