SCHEMBL1983287

SCHEMBL1983287

CC(C)(C)OC(=O)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.48
CCR5 P51681 3/20 0.46
KLK7 P49862 1/20 0.46
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
BCHE P06276 2/20 0.43
MAOB P27338 1/20 0.43
HCRTR2 O43614 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR119 Q8TDV5 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
SCHEMBL2381394 1.00 AGTR2 (0.48) AGTR2CCR5KLK7NR1H2NR1H3
SCHEMBL1984795 1.00 AGTR2 (0.48) AGTR2CCR5KLK7NR1H2NR1H3
SCHEMBL18599553 0.97 NR1H2 (0.46) AGTR2CCR5KLK7NR1H2NR1H3
SCHEMBL18495417 0.93 CCR5 (0.52) AGTR2CCR5JAK2JAK1BCHE
SCHEMBL16064467 0.93 CCR5 (0.52) AGTR2CCR5JAK2JAK1BCHE
SCHEMBL6785103 0.87 NR1H2 (0.47) AGTR2NR1H2NR1H3JAK2JAK1
SCHEMBL13117075 0.86 L3MBTL1 (0.51) AGTR2BCHEMAOBL3MBTL1KDM4E
SCHEMBL13102888 0.86 L3MBTL1 (0.51) AGTR2BCHEMAOBL3MBTL1KDM4E
SCHEMBL993829 0.85 CCR5 (0.58) CCR5JAK2JAK1GPR119
SCHEMBL16891993 0.85 NR1H2 (0.38) CCR5NR1H2NR1H3ALDH1A1

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
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US disclosed
WO-2012019426-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US disclosed
EP-1767536-B1 QUINOLONECARBOXYLIC ACID COMPOUNDS, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF INST MED BIOTECHNOLOGY CAMS (CN) 2011-06-29 EP disclosed
US-7759362-B2 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof INSTITUT OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-07-20 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof XINCHANG PHARMACEUTICAL FACTORY, ZHEJIANG MEDICINE CO. LTD. (CN) 2007-09-20 US disclosed
EP-1767536-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEREOF PREPARATION AND USAGE Institute of Medicinal Biotechnology, Chinese Acadamy of Medical Sciences (CN) 2007-03-28 EP disclosed
EP-0603887-B1 Bicyclic amine derivatives DAIICHI SEIYAKU CO (JP) 2003-10-01 EP disclosed
US-5654318-A 1-HALOCYCLOPROPYL-3-CARBOXY-4-OXO-7-(2,8-DIAZOBICYCLO(4.3.0)-NON-8-YL)QUINOLINES; POTENT MICROBIOCIDES; NONTOXIC; REDUCED LIPOPHILICITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-05 US disclosed
EP-0603887-A2 Bicyclic amine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 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 (3 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D AGTR2 166/4885CCR5 3021/4885KLK7 4679/4885
US-20070219231-A1 Quinolonecarboxylic acid compounds, preparation methods and pharmaceutical uses thereof NQO2, ABCG2, DHX15 AGTR2 2399/4885CCR5 214/4885KLK7 3082/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S AGTR2 213/4885CCR5 3848/4885KLK7 4578/4885

“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.