SCHEMBL21768458

SCHEMBL21768458

Cc1cc(N2CCNC(=O)C2)ncc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
PIM1 P11309 3/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
EGLN2 Q96KS0 1/20 0.41
LRRK2 Q5S007 5/20 0.40
CCNT1 O60563 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
KCNH2 Q12809 1/20 0.38
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
HPGDS O60760 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 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
SCHEMBL26337433 0.87 OPRM1 (0.48) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL17310008 0.83 ALK (0.47) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL19105569 0.82 OPRM1 (0.46) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL1460190 0.79 CYP1A2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL25377681 0.77 LRRK2 (0.43) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL3299891 0.77 PIM1 (0.41) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL15205734 0.75 GRIN2D (0.51) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL9963945 0.75 GRIN2D (0.51) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL15509230 0.75 OPRM1 (0.46) OPRM1OPRL1PIM1PIM3PIM2
SCHEMBL20640242 0.74 CNR2 (0.41) OPRM1OPRL1EGLN2JAK2JAK1

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
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

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 3/4885PIM1 3875/4885

“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.