SCHEMBL13817552

SCHEMBL13817552

CN1CCN(c2nsc(N3CCNCC3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
UBE2N P61088 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
SCHEMBL4482650 0.85 HRH1 (0.60) HRH1TDP1USP2SMN1; SMN2HTR2C
SCHEMBL4472198 0.83 HRH4 (0.43) HRH1TDP1USP2SMN1; SMN2HRH4
SCHEMBL4483298 0.83 USP2 (0.61) HRH1TDP1USP2SMN1; SMN2HTR2C
SCHEMBL4474918 0.81 ALDH1A1 (0.40) HRH1TDP1USP2SMN1; SMN2HTR2C
SCHEMBL3150091 0.74 DPP4 (0.42) HRH1TDP1USP2SMN1; SMN2CASP1
SCHEMBL13817550 0.72 DPP4 (0.43) TDP1SMN1; SMN2HRH4KDM4EALDH1A1
SCHEMBL9073290 0.71 CASP1 (0.71) HRH1TDP1USP2SMN1; SMN2CASP1
SCHEMBL24936706 0.70 HRH4 (0.49) HRH4
SCHEMBL13817551 0.70 ALDH1A1 (0.42) TDP1SMN1; SMN2HRH4ALDH1A1POLB
SCHEMBL3152112 0.70 ADRB1 (0.39) HRH1TDP1USP2SMN1; SMN2HTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541359-B2 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-02 US disclosed
US-7541359-B2 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-02 US disclosed
WO-2007005510-A1 N-HETEROARYLPIPERAZINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-11 WO disclosed
US-20070004741-A1 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase APODACA RICHARD 2007-01-04 US disclosed
US-20070004741-A1 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase APODACA RICHARD 2007-01-04 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-20070004741-A1 N-heteroarylpiperazinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, CNR2 HRH1 23/4885TDP1 3958/4885USP2 27/4885

“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.