SCHEMBL4054110

SCHEMBL4054110

CCCCn1cc(N2CCCCC2)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.45
CNR1 P21554 11/20 0.45
CFTR P13569 1/20 0.43
PRKCB P05771 1/20 0.40
GSK3B P49841 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL4054311 0.84 CNR1 (0.38) CNR2CNR1GSK3BALDH1A1MAPT
SCHEMBL4054906 0.84 CNR1 (0.49) CNR2CNR1PRKCBGSK3BALDH1A1
SCHEMBL4052413 0.77 CFTR (0.44) CNR2CNR1CFTRALDH1A1MAPT
SCHEMBL20688030 0.76 CNR2 (0.51) CNR2CNR1CFTRPRKCBGSK3B
SCHEMBL22252332 0.75 CNR2 (0.53) CNR2CNR1CFTRPRKCBGSK3B
SCHEMBL9237227 0.75 CDC25A (0.49) CNR2CNR1
SCHEMBL4054224 0.74 CNR1 (0.43) CNR2CNR1GSK3BMAPT
SCHEMBL4054387 0.74 DRD4 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4055361 0.73 CNR1 (0.37) CNR2CNR1ALDH1A1MAPTMAPK1
SCHEMBL4054230 0.73 ALDH1A1 (0.38) CNR2CNR1ALDH1A1MAPTMAPK1

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-7622480-B2 Selective H1 histamine receptor antagonists; bronchial asthma, allergic rhinitis, conjunctivitis, dermatitis, urticaria and other allergic diseases; e.g. 3-(4-[1-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-ylmethyl)benzoic acid LABORATORIOS ALMIRALL S.A. (ES) 2009-11-24 US disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 CNR2 88/4885CNR1 99/4885CFTR 2583/4885

“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.