SCHEMBL1128616

SCHEMBL1128616

CCC(C)(Br)OC(C)(Br)CC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22115 0.68
SCHEMBL1647240 0.68
SCHEMBL4768840 0.67
SCHEMBL811650 0.67 TSHR (0.31) TSHRTDP1ALDH1A1
SCHEMBL1538998 0.65
SCHEMBL1313897 0.65
Ammonia Solution, Strong SCHEMBL2551613 0.65
SCHEMBL19638281 0.65
SCHEMBL10741529 0.63 TSHR (0.30) TSHRTDP1
SCHEMBL6232376 0.62

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283017-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2011-02-16 EP disclosed
WO-2009130560-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-10-29 WO disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP disclosed
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO disclosed
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUSEARCH A/S (DK) 2006-10-26 US disclosed
EP-1615896-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2006-01-18 EP disclosed
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2006-01-05 US disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP disclosed
US-20050026911-A1 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 US disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP 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
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO disclosed
US-20020147344-A1 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA, S.A. (ES) 2002-10-10 US disclosed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 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 (4 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 TSHR 645/4885TDP1 4069/4885ALDH1A1 356/4885
US-20060241101-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA2, GABRA1, GABRA5 TSHR 921/4885TDP1 3658/4885ALDH1A1 918/4885
US-20050026911-A1 Benzotriazapinone salts and methods for using same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC13A3, CLIC1 TSHR 560/4885TDP1 3276/4885ALDH1A1 2875/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR TSHR 184/4885TDP1 2793/4885ALDH1A1 1894/4885

“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.