SCHEMBL3869622

SCHEMBL3869622

CCN1CCN(c2cccc(-c3ccc(OC)c(OC)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.46
ZAP70 P43403 1/20 0.46
TNF P01375 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ACHE P22303 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44

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
SCHEMBL10112451 0.78 HRH3 (0.49) HTR7SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4767877 0.77 KDM4E (0.48) HTR7SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL6926990 0.77 ZAP70 (0.52) SMN1; SMN2ZAP70RAB9A
Hydrochloric Acid SCHEMBL4766516 0.76 KDM4E (0.47) HTR7SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL22833986 0.75 CNR1 (0.55) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL17144996 0.75 KDM4E (0.65) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL5000710 0.73 ALDH1A1 (0.54) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL10131219 0.72 HRH3 (0.51) KDM4EALDH1A1TSHRHPGDMAPK1
SCHEMBL4720276 0.72 MAPT (0.48) SMN1; SMN2KDM4EALDH1A1TSHRHPGD
SCHEMBL10131263 0.72 HRH3 (0.45) ALDH1A1TSHRHPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 HTR7 145/4885SMN1; SMN2 3716/4885KDM4E 437/4885

“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.