SCHEMBL21768448

SCHEMBL21768448

Ic1ccnc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
DYRK1A Q13627 2/20 0.43
CCNT1 O60563 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
MAPK8 P45983 1/20 0.40
CDC7 O00311 1/20 0.40
ADRB1 P08588 1/20 0.40
CHRNA7 P36544 1/20 0.40
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHKA P35790 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3896595 0.83 PIK3CA (0.54) ACHECCNT1CCNA2CDK2CDK9
SCHEMBL24962265 0.83 HTR3A (0.53) ACHECCNT1CCNA2CDK2CDK9
SCHEMBL17547159 0.79 ACHE (0.43) ACHECHRNA7MEN1KMT2ALMNA
SCHEMBL8549105 0.78 GBA1 (0.56) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL18228033 0.78 ACHE (0.47) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL15748899 0.77 EGFR (0.49) CDK2
SCHEMBL3509457 0.76 ALDH1A1 (0.47) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL421266 0.76 ACHE (0.46) ACHEDYRK1ACCNT1CCNA2CDK2
SCHEMBL7904079 0.76 SORD (0.55) ACHEGBA1ALDH1A1TSHRLMNA
SCHEMBL30635502 0.76 GBA1 (0.55) ACHEDYRK1ACCNT1CCNA2CDK2

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 ACHE 444/4885DYRK1A 443/4885CCNT1 2728/4885

“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.