SCHEMBL114702

SCHEMBL114702

[c]1ccc(N2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.46
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
MAPT P10636 5/20 0.43
ALOX15 P16050 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIN2D O15399 1/20 0.42

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
SCHEMBL41297 0.95 CHKA (0.52) CHKAALDH1A1L3MBTL1MAPTALOX15
SCHEMBL1900341 0.92 ALDH1A1 (0.52) CHKAALDH1A1L3MBTL1MAPTALOX15
SCHEMBL693166 0.92 ALDH1A1 (0.52) CHKAALDH1A1L3MBTL1MAPTALOX15
SCHEMBL146936 0.92 ALDH1A1 (0.52) CHKAALDH1A1L3MBTL1MAPTALOX15
SCHEMBL5795262 0.89
SCHEMBL215829 0.85 NCF1 (0.58) CHKAALDH1A1MAPTKDM4EKMT2A
SCHEMBL2323102 0.83 LMNA (0.50) CHKAALDH1A1MAPTALOX15KDM4E
SCHEMBL12478326 0.81 ALDH1A1 (0.47) CHKAALDH1A1L3MBTL1MAPTALOX15
SCHEMBL215813 0.81 ADRB1 (0.53) ALDH1A1KDM4ENCF1LMNA
SCHEMBL45747 0.80 LMNA (0.58) ALDH1A1MAPTALOX15KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115297861-B Compounds and uses thereof 福宏治疗公司 2024-07-12 CN claimed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
CN-110023312-A The Compounds and methods for for preventing malarial parasite from propagating 由卫生与公众服务部部长代表的美利坚合众国 2019-07-16 CN claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US claimed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US claimed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP claimed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US claimed
CN-104039799-B As the macrocyclic amide of proteinase inhibitor HOFFMAN-LA ROCHE LTD. (CH) 2016-04-13 CN claimed
US-9290467-B2 Cyclic amides Hoffmann—La Roche Inc. (US) 2016-03-22 US claimed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP claimed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO claimed
JP-2006501194-A 2006-01-12 JP claimed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US claimed
CN-1678587-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2005-10-05 CN claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US claimed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO claimed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G CHKA 2913/4885ALDH1A1 3435/4885L3MBTL1 3854/4885
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R CHKA 1369/4885ALDH1A1 1572/4885L3MBTL1 2437/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CHKA 1991/4885ALDH1A1 2402/4885L3MBTL1 3369/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CHKA 568/4885ALDH1A1 597/4885L3MBTL1 2588/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CHKA 2913/4885ALDH1A1 3435/4885L3MBTL1 3854/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CHKA 2913/4885ALDH1A1 3435/4885L3MBTL1 3854/4885

“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.