SCHEMBL13061931

SCHEMBL13061931

CN(C)CCn1c2ccccc2c2ccc(C(=O)N=C(N)N)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ HTR2B P41595 3/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PTGER4 P35408 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SLC9A1 P19634 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ TOP2A P11388 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL13061930 0.93 CNR2 (0.54) CNR2HTR2BHTR7KDM4EALDH1A1
SCHEMBL13011800 0.89 HIF1A (0.49) CNR2HTR2BHTR7KDM4EALDH1A1
SCHEMBL13011755 0.87 HPGD (0.57) CNR2HTR2BHTR7KDM4EALDH1A1
SCHEMBL2482662 0.85 HTR2B (0.49) HTR2BHTR7KDM4EALDH1A1HPGD
SCHEMBL13011760 0.85 HTR2B (0.49) HTR2BHTR7KDM4EALDH1A1HPGD
SCHEMBL13011754 0.85 NPC1 (0.55) CNR2ALDH1A1HPGDNPC1
SCHEMBL13011661 0.81 HTR2B (0.43) CNR2HTR2BHTR7KDM4EPTGER4
SCHEMBL13011761 0.81 CNR2 (0.50) CNR2HTR2BHTR7KDM4EPTGER4
SCHEMBL13011660 0.80 MEN1 (0.47) CNR2HTR2BHTR7KDM4EPTGER4
SCHEMBL13011630 0.80 POLB (0.45) CNR2HTR2BHTR7KDM4EPTGER4

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 681/4885HTR2B 7/4885HTR7 17/4885

“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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