SCHEMBL4384086

SCHEMBL4384086

O=C(CCc1cccnc1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 16/20 0.62
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 2/20 0.56

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
SCHEMBL4382207 0.99 C3AR1 (0.61) C3AR1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL2831484 0.89 C3AR1 (0.61) C3AR1
SCHEMBL13636164 0.87 POLB (0.48) C3AR1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL10305181 0.83 NPC1 (0.67) C3AR1
SCHEMBL1312749 0.80 CHRM1 (0.57) C3AR1KMT2A
SCHEMBL20353683 0.80 C3AR1 (0.55) C3AR1ALDH1A1KMT2AKDM4E
SCHEMBL3919245 0.78 RAB9A (0.67) C3AR1ALDH1A1
SCHEMBL14218061 0.78 MEN1 (0.56) C3AR1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL1312788 0.77 C3AR1 (0.55) C3AR1ALDH1A1KMT2AKDM4E
SCHEMBL4380598 0.77 ME2 (0.57) C3AR1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 C3AR1 882/4885ALDH1A1 1907/4885TSHR 621/4885

“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.