SCHEMBL785378

SCHEMBL785378

CN(C(=O)O)C1CCN(Cc2ccnc(N3CCCC3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.44
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
CHRM4 P08173 4/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
OPRD1 P41143 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CCR4 P51679 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL803840 0.86 HCRTR1 (0.43) CCR3CHRM4OPRM1OPRL1HCRTR1
SCHEMBL27902612 0.80 SIGMAR1 (0.49) DRD2SIGMAR1CHRM4MCHR1CHRM2
SCHEMBL803586 0.76 HRH4 (0.57) CHRM4HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL785792 0.75 HRH4 (0.56) CHRM4HCRTR1HCRTR2
Isophthalic Acid SCHEMBL28802464 0.75 CYP2D6 (0.52) CCR3CHRM4HCRTR1HCRTR2KCNH2
SCHEMBL784863 0.75 SIGMAR1 (0.68) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL10277948 0.74 GBA1 (0.50) OPRD1
SCHEMBL18320630 0.74 KDM5C (0.43) CCR3DRD2HTR2AHTR2CHTR2B
SCHEMBL3598501 0.73 CCR8 (0.51) CCR3SIGMAR1LTA4H
SCHEMBL3593317 0.73 SIGMAR1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CCR3 517/4885DRD2 64/4885HTR2A 475/4885

“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.