SCHEMBL7120829

SCHEMBL7120829

NN1CCC(c2ccccn2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD2 P14416 6/20 0.42
DRD3 P35462 3/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
SPR P35270 1/20 0.40
GRM2 Q14416 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
SCHEMBL15025142 0.89 HSD11B1 (0.49) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL29448519 0.82
SCHEMBL900225 0.82
SCHEMBL659325 0.82 KDM4E (0.48) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL29352448 0.81 DRD4 (0.48) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL171599 0.81 DRD4 (0.48) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL3580228 0.81 DRD4 (0.48) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL6358179 0.81 DRD4 (0.48) DRD4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL4002709 0.80 DRD4 (0.47) DRD4CHRM2CHRM4CHRM5CHRM1
SCHEMBL28975864 0.79 DRD4 (0.46) DRD4CHRM2CHRM4CHRM5CHRM1

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
CN-105968096-A N-substituted piperylhydrazine-4-pyrimidines derivative as well as preparation method and application thereof 山东大学 2016-09-28 CN disclosed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 DRD4 796/4885CHRM2 404/4885CHRM4 623/4885

“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.