SCHEMBL6776647

SCHEMBL6776647

CC(C)(C(=O)O)c1ccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.53
CCR2 P41597 2/20 0.53
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CREBBP Q92793 1/20 0.53
HTR2A P28223 4/20 0.52
HTR7 P34969 4/20 0.52
DRD2 P14416 2/20 0.52
KCNH2 Q12809 1/20 0.52
CHRM4 P08173 1/20 0.52

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
SCHEMBL6779379 0.85 CCR2 (0.58) ADRA1DCCR2HTR2AHTR7DRD2
SCHEMBL9032327 0.84 ADRA1D (0.69) ADRA1DHTR2ADRD2KCNH2
Hydrochloric Acid SCHEMBL30908966 0.83 ADRA1D (0.70) ADRA1DHTR2ADRD2KCNH2
Hydrochloric Acid SCHEMBL9031744 0.81 ADRA1D (0.64) ADRA1DKDM4E
Hydrochloric Acid SCHEMBL9030526 0.79 ADRA1D (0.64) ADRA1DCCR2
Hydrochloric Acid SCHEMBL9029640 0.79 ADRA1D (0.64) ADRA1DDRD2
Hydrochloric Acid SCHEMBL9031499 0.79 ADRA1D (0.64) ADRA1D
Hydrochloric Acid SCHEMBL9029293 0.79 ADRA1D (0.60) ADRA1DHTR2AHTR7DRD2
SCHEMBL4058873 0.78 HTR1F (0.40) CCR2HTR2AKCNH2
SCHEMBL993093 0.78 HTR2B (0.55) POLBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1191246-C Indolylpiperidine derivatives as antihistamines and antiallergic agents ALMIRALL PRODESFARMA SA (ES) 2005-03-02 CN claimed
EP-1183251-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2004-02-11 EP claimed
US-6683096-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2004-01-27 US claimed
JP-2003501424-A 2003-01-14 JP claimed
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2002-10-10 US claimed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP claimed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO claimed
CN-1191246-C Indolylpiperidine derivatives as antihistamines and antiallergic agents ALMIRALL PRODESFARMA SA (ES) 2005-03-02 CN disclosed
EP-1183251-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2004-02-11 EP disclosed
US-6683096-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2004-01-27 US disclosed
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2002-10-10 US disclosed
CN-1368969-A Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA SA (ES) 2002-09-11 CN 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-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 ADRA1D 24/4885CCR2 1064/4885KDM4E 1249/4885

“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.