SCHEMBL12259282

SCHEMBL12259282

Cc1cccc(CNC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TRPV3 Q8NET8 6/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
P2RX7 Q99572 1/20 0.37
CXCR4 P61073 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL23015676 0.83 TRPV3 (0.40) SMN1; SMN2TRPV3NPSR1CXCR4
SCHEMBL19226453 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL943003 0.79 SMN1; SMN2 (0.64) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL5338175 0.79 KDM1A (0.44) KDM1AMAOAMAOBTRPV3NPSR1
SCHEMBL2476858 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL29791992 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KDM1AMAOAMAOBCCR1
SCHEMBL23190332 0.77 MEN1 (0.41) TRPV3NPSR1MEN1KMT2ACXCR4
SCHEMBL14478362 0.77 TRPV3 (0.39) TRPV3NPSR1
SCHEMBL2463587 0.76 CASR (0.53) SMN1; SMN2OPRM1
SCHEMBL21082496 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KDM1AMAOAMAOBCCR1

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-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 SMN1; SMN2 3828/4885KDM1A 1314/4885MAOA 3326/4885

“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.