SCHEMBL4056419

SCHEMBL4056419

CCOC(=O)N1CCC(c2c[nH]c3cnccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
BRD4 O60885 1/20 0.50
POLB P06746 1/20 0.50
CREBBP Q92793 1/20 0.50
CCR2 P41597 3/20 0.46
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
CHRM4 P08173 2/20 0.42
NOS2 P35228 1/20 0.42
SLC2A1 P11166 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL12327686 0.86 GPR119 (0.53) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL31001677 0.86 GPR119 (0.53) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL16801608 0.85 KDM4E (0.69) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL4055416 0.84 ALDH1A1 (0.71) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL2468384 0.83 HSD11B1 (0.60) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL4051581 0.80 DRD2 (0.64) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL4059915 0.80 HSD11B1 (0.62) HSD11B1ALDH1A1CCR2CHRM4NOS2
SCHEMBL27926316 0.78 HSD11B1 (0.49) HSD11B1ALDH1A1KDM4EBRD4POLB
SCHEMBL5351948 0.77 MTNR1A (0.62) HSD11B1CCR2HTR1ADRD2HTR2A
SCHEMBL4767261 0.77 GPR119 (0.53) HSD11B1ALDH1A1KDM4EBRD4POLB

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 HSD11B1 2048/4885ALDH1A1 636/4885KDM4E 1036/4885

“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.