SCHEMBL3920512

SCHEMBL3920512

CCCCN1CCN(C(=O)c2ccc(CO)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.59
PLA2G2A P14555 8/20 0.55
THRB P10828 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
DRD3 P35462 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50

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
SCHEMBL16256950 0.85 KCNA5 (0.60) DRD2PLA2G2ATHRBALDH1A1HRH2
SCHEMBL1177610 0.85 LSS (0.65) DRD2PLA2G2ATHRBSIGMAR1HRH2
SCHEMBL19562228 0.84 DRD2 (0.54) DRD2PLA2G2ATHRBSIGMAR1ALDH1A1
SCHEMBL11939472 0.84 POLB (0.56) DRD2POLB
SCHEMBL11938971 0.84 DRD2 (0.54) DRD2PLA2G2ATHRBSIGMAR1ALDH1A1
SCHEMBL6248913 0.84 HRH3 (0.74) DRD2ALDH1A1
SCHEMBL10722663 0.84 DRD2 (0.69) DRD2SIGMAR1ALDH1A1HRH2HRH1
SCHEMBL4376369 0.83 DRD2 (0.66) DRD2PLA2G2ATHRBSIGMAR1ALDH1A1
SCHEMBL6488394 0.82 PLA2G2A (0.60) DRD2PLA2G2ATHRBSIGMAR1HRH2
SCHEMBL1177617 0.82 HRH3 (0.75) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511807-A Substituted benzamide modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2009-08-19 CN claimed
EP-2038269-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-25 EP claimed
US-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US claimed
WO-2008002816-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
CN-101511807-A Substituted benzamide modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV (BE) 2009-08-19 CN disclosed
EP-2038269-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-25 EP disclosed
US-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
WO-2008002816-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO disclosed
WO-2008002816-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO 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-20080045507-A1 SUBSTITUTED BENZAMIDE MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 DRD2 1486/4885PLA2G2A 1710/4885THRB 576/4885

“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.