SCHEMBL4052165

SCHEMBL4052165

CCOC(=O)c1cc(CBr)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.67
CYP4A11 Q02928 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
GAA P10253 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
HSD17B2 P37059 1/20 0.47
TSHR P16473 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CDC25B P30305 1/20 0.45
DPP4 P27487 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 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
SCHEMBL29196217 0.89 LMNA (0.52) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL9826415 0.88 CYP4F2 (0.62) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL1287529 0.86 HPGD (0.54) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL31119031 0.86 HPGD (0.54) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL8587536 0.85 CYP4F2 (0.63) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL29196256 0.85 SMN1; SMN2 (0.53) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL6376171 0.83 KMT2A (0.51) CYP4F2CYP4A11SMN1; SMN2LMNATDP1
SCHEMBL4834423 0.83 CYP4F2 (0.72) CYP4F2CYP4A11SMN1; SMN2LMNAGAA
SCHEMBL2096332 0.82 LMNA (0.57) SMN1; SMN2LMNAGAATDP1MAPT
SCHEMBL7597341 0.82 MRGPRX4 (0.57) CYP4F2CYP4A11GAATDP1MAPT

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 15 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
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-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
EP-1497292-B1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-06-14 EP disclosed
US-20060094879-A1 New indolylpiperidine derivatives as potent antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
EP-1513826-B1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-01-25 EP disclosed
US-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 US disclosed
EP-1513826-A1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-03-16 EP disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
WO-2003099807-A1 NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-12-04 WO disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 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 (2 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 CYP4F2 1248/4885CYP4A11 855/4885SMN1; SMN2 4721/4885
US-20060094879-A1 New indolylpiperidine derivatives as potent antihistaminic and antiallergic agents HRH2, HRH4, HRH1 CYP4F2 1433/4885CYP4A11 1223/4885SMN1; SMN2 4659/4885

“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.