SCHEMBL4058873

SCHEMBL4058873

COc1ncc2c(C3CCN(CCc4ccc(C(C)(C)C(=O)O)cc4)CC3)c[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HSD11B1 P28845 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
KCNH2 Q12809 3/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
OPRM1 P35372 1/20 0.37
HRH1 P35367 2/20 0.36
AXL P30530 1/20 0.36
CHRM3 P20309 1/20 0.36
CACNA1G O43497 1/20 0.36
CCR2 P41597 1/20 0.36
HTR4 Q13639 2/20 0.35
HTR2A P28223 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL6776647 0.78 ADRA1D (0.53) KCNH2CCR2HTR2A
SCHEMBL13624817 0.69 HRH1 (0.58) HRH3KCNH2HRH1
SCHEMBL993093 0.68 HTR2B (0.55) KCNH2HRH1
SCHEMBL28370891 0.68 CACNA1G (0.48) HRH3HRH1CHRM3CACNA1GHTR2A
SCHEMBL18884525 0.67 HRH1 (0.68) KCNH2HRH1
Oxalic Acid SCHEMBL9030775 0.67 SLC6A4 (0.60) HTR2A
SCHEMBL14916479 0.66 KCNH2 (0.51) KCNH2HRH1
SCHEMBL6786077 0.66 HRH2 (0.63) HTR2A
SCHEMBL4653613 0.66 HRH1 (0.63) HRH3JAK2JAK1JAK3KCNH2
SCHEMBL6782829 0.66 HRH2 (0.46) HTR2A

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 HTR1F 244/4885HRH3 4/4885HSD11B1 2048/4885

“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.