SCHEMBL4058699

SCHEMBL4058699

Fc1ccc(Cn2cc(C3CCNCC3)c3cccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
CNR2 P34972 4/20 0.55
SLC6A2 P23975 8/20 0.46
SLC6A4 P31645 8/20 0.46
HTR1A P08908 7/20 0.46
SLC6A3 Q01959 4/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 2/20 0.42
HTR6 P50406 1/20 0.41
MAPT P10636 1/20 0.41
NR4A2 P43354 1/20 0.40

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
SCHEMBL5749127 0.83 CNR1 (0.40) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL4058326 0.82 HTR2A (0.43) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL4052399 0.81 CFTR (0.42) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL4058960 0.80 OPRL1 (0.41) SLC6A2SLC6A4HTR1ASLC6A3HTR6
SCHEMBL4051642 0.79 HTR6 (0.49) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL24567395 0.79 OPRM1 (0.45) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL4055720 0.79 HRH2 (0.43) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL4050219 0.79 HRH2 (0.42) CNR1CNR2SLC6A2SLC6A4HTR1A
SCHEMBL4061970 0.77 CNR1 (0.51) CNR1CNR2PDE4APDE4BPDE4C
SCHEMBL4060744 0.77 OPRM1 (0.44) CNR1CNR2SLC6A2SLC6A4HTR1A

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 5 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
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 CNR1 99/4885CNR2 88/4885SLC6A2 1421/4885

“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.