SCHEMBL13061930

SCHEMBL13061930

CN(C)CCCn1c2ccccc2c2ccc(C(=O)N=C(N)N)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.54
▸ CYP2D6 P10635 1/20 0.48
▸ HTR2B P41595 3/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL13061931 0.93 CNR2 (0.46) CNR2HTR2BHTR7KDM4ENPC1
SCHEMBL13011754 0.87 NPC1 (0.55) CNR2NPC1ALDH1A1HPGD
SCHEMBL13011755 0.85 HPGD (0.57) CNR2HTR2BHTR7KDM4ENPC1
SCHEMBL13011800 0.84 HIF1A (0.49) CNR2HTR2BHTR7KDM4ENPC1
SCHEMBL13011509 0.83 CNR2 (0.60) CNR2CYP2D6KDM4EFABP4FABP5
SCHEMBL13011760 0.83 HTR2B (0.49) HTR2BHTR7KDM4EDRD2HTR2A
SCHEMBL2482662 0.83 HTR2B (0.49) HTR2BHTR7KDM4ENPC1DRD2
SCHEMBL13011524 0.81 CNR2 (0.57) CNR2CYP2D6HDAC1HDAC6SMPD1
SCHEMBL13011661 0.79 HTR2B (0.43) CNR2HTR2BHTR7KDM4EALDH1A1
SCHEMBL13011761 0.79 CNR2 (0.50) CNR2HTR2BHTR7KDM4E

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E CNR2 681/4885CYP2D6 596/4885HTR2B 7/4885

“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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