SCHEMBL4049489

SCHEMBL4049489

CCOCCn1cc(C2CCN(Cc3ccc(OC)c(C(=O)O)c3)CC2)c2ccc(F)cc21

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 15/20 0.81
HTR2A P28223 3/20 0.81
HTR2C P28335 3/20 0.81
HTR2B P41595 3/20 0.81

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
SCHEMBL4051375 0.93 HRH2 (0.76) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051729 0.91 HRH2 (0.74) HRH2HTR2AHTR2CHTR2B
SCHEMBL4057729 0.90 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL5348195 0.88 HRH2 (0.74) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053204 0.87 HRH2 (0.80) HRH2HTR2AHTR2CHTR2B
SCHEMBL4054397 0.86 HRH2 (0.74) HRH2HTR2AHTR2CHTR2B
SCHEMBL5343718 0.85 HRH2 (0.73) HRH2HTR2AHTR2CHTR2B
SCHEMBL5350635 0.84 HRH2 (0.78) HRH2HTR2AHTR2CHTR2B
SCHEMBL6780104 0.84 HRH2 (0.84) HRH2HTR2AHTR2CHTR2B
SCHEMBL5346744 0.84 HRH2 (0.88) HRH2HTR2AHTR2CHTR2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560471-B2 5-{4-[1-(2-Ethoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}-2-methoxybenzoic acid; histamine H1 antagonists; bronchial dialtors; asthma; allergic rhinitis; conjunctivitis; dermatitis; urticaria; selective antiallergic effects so less side effect reduction and lower dosage LABORATORIOS ALMIRALL S.A. (ES) 2009-07-14 US claimed
US-20060094879-A1 New indolylpiperidine derivatives as potent antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2006-05-04 US claimed
EP-1513826-B1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-01-25 EP claimed
US-7560471-B2 5-{4-[1-(2-Ethoxyethyl)-1H-indol-3-yl]piperidin-1-ylmethyl}-2-methoxybenzoic acid; histamine H1 antagonists; bronchial dialtors; asthma; allergic rhinitis; conjunctivitis; dermatitis; urticaria; selective antiallergic effects so less side effect reduction and lower dosage LABORATORIOS ALMIRALL S.A. (ES) 2009-07-14 US disclosed
US-20060094879-A1 New indolylpiperidine derivatives as potent antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1513826-B1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-01-25 EP disclosed
EP-1513826-A1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-03-16 EP disclosed
WO-2003099807-A1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-12-04 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-20060094879-A1 New indolylpiperidine derivatives as potent antihistaminic and antiallergic agents HRH2, HRH4, HRH1 HRH2 1/4885HTR2A 18/4885HTR2C 31/4885

“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.