SCHEMBL4056205

SCHEMBL4056205

COCCn1cc(C2CCNCC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HRH2 P25021 9/20 0.45
HTR2C P28335 4/20 0.45
HTR2A P28223 3/20 0.45
HTR2B P41595 3/20 0.45
REN P00797 1/20 0.45
CCNT1 O60563 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 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
SCHEMBL4058347 0.88 HRH2 (0.58) HTR6HRH2HTR2CHTR2AHTR2B
SCHEMBL4055511 0.83 HRH2 (0.53) HTR6CNR1CNR2HRH2HTR2C
SCHEMBL13768724 0.83 HRH2 (0.57) HTR6CNR1CNR2HRH2
SCHEMBL8316249 0.82 HTR6 (0.53) HTR6HTR2C
SCHEMBL7136158 0.82 HRH2 (0.49) HTR6CNR1CNR2HRH2HTR2C
SCHEMBL4053254 0.81 CNR1 (0.47) HTR6CNR1CNR2REN
SCHEMBL6781286 0.79 HTR6 (0.52) HTR6CNR1CNR2HRH2HTR2C
SCHEMBL5937271 0.78 HTR6 (0.57) HTR6HTR2C
SCHEMBL5342259 0.78 CNR2 (0.53) HTR6CNR1CNR2
SCHEMBL5339248 0.78 HRH2 (0.56) HTR6CNR1CNR2HRH2HTR2C

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-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-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-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

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 HTR6 22/4885NPSR1 128/4885CNR1 27/4885

“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.