SCHEMBL26340620

SCHEMBL26340620

Cc1cnc(N2CCSCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
GPR119 Q8TDV5 2/20 0.42
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.35
MAPK10 P53779 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2629285 0.81 KCNH2 (0.45) KCNH2GPR119CNR2ALDH1A1LMNA
SCHEMBL240638 0.79 SMN1; SMN2 (0.47) KCNH2GPR119CNR2ALDH1A1LMNA
SCHEMBL3304148 0.78 CNR2 (0.40) CNR2ALDH1A1KMT2AKDM4EGAA
SCHEMBL8207362 0.78 KCNH2 (0.43) KCNH2GPR119CNR2ALDH1A1KMT2A
SCHEMBL81828 0.78 HTR3A (0.52) KCNH2GPR119HTR3AHRH4
SCHEMBL14376100 0.77 GRIN2D (0.51) GPR119CNR2ALDH1A1KMT2AKDM4E
SCHEMBL2629281 0.76 PLD1 (0.47) KCNH2GPR119ALDH1A1KMT2AKDM4E
SCHEMBL807298 0.76 ALDH1A1 (0.54) CNR2ALDH1A1KMT2AKDM4EGAA
SCHEMBL20180620 0.74 KCNH2 (0.41) KCNH2GPR119CNR2CHRM3PDE4A
SCHEMBL9885064 0.74 KCNH2 (0.51) KCNH2GPR119ALDH1A1KMT2AKDM4E

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 1 patent. 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

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 KCNH2 530/4885GPR119 1390/4885CNR2 6/4885

“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.