SCHEMBL4058355

SCHEMBL4058355

CCOC(=O)n1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
ELANE P08246 1/20 0.48
HPGD P15428 2/20 0.46
DTYMK P23919 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NOS2 P35228 1/20 0.43

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
SCHEMBL4056219 0.92 ELANE (0.53) GPR119ELANEALDH1A1MEN1KMT2A
SCHEMBL12011302 0.82 JAK2 (0.48) GPR119ELANEDTYMKPOLBJAK2
SCHEMBL20780019 0.81 HTT (0.50) ELANEPOLBALDH1A1MEN1GAA
SCHEMBL12874664 0.79 GPR119 (0.42) GPR119DTYMKLMNAPOLBTHRB
SCHEMBL4053826 0.78 HRH2 (0.48) ELANEALDH1A1MEN1KMT2AKDM4E
SCHEMBL4873375 0.78 GPR119 (0.45) GPR119DTYMKPOLBJAK2JAK1
SCHEMBL14280724 0.78 GPR119 (0.45) GPR119DTYMKPOLBJAK2JAK1
SCHEMBL4873380 0.78 GPR119 (0.45) GPR119DTYMKPOLBJAK2JAK1
SCHEMBL4054792 0.78 HTR2A (0.47) GPR119DTYMKLMNATHRBALDH1A1
SCHEMBL4059179 0.78 ELANE (0.43) GPR119ELANEDTYMKMEN1KMT2A

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 GPR119 335/4885ELANE 952/4885HPGD 143/4885

“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.