SCHEMBL3389475

SCHEMBL3389475

NN1C(=O)CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CYP2A6 P11509 1/20 0.43
SRD5A1 P18405 3/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR2A P28223 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 2/20 0.42
CHRM3 P20309 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B3 P37058 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 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
SCHEMBL30100746 1.00 POLB (0.51) POLBCYP2A6SRD5A1OPRM1OPRK1
SCHEMBL8164410 0.88 MEN1 (0.50) POLBCYP2A6MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1977939 0.86 MEN1 (0.49) POLBCYP2A6MEN1KMT2ASMN1; SMN2
SCHEMBL11677341 0.84 HTR2A (0.50) POLBSRD5A1OPRM1OPRK1HTR2A
Hydrochloric Acid SCHEMBL11818641 0.82 HTR2A (0.48) POLBSRD5A1OPRM1OPRK1HTR2A
SCHEMBL1462133 0.81 HPGD (0.55) CYP2A6OPRM1OPRK1OPRL1MEN1
SCHEMBL30642087 0.81 HPGD (0.55) CYP2A6OPRM1OPRK1OPRL1MEN1
Hydrochloric Acid SCHEMBL27671303 0.79 HPGD (0.53) CYP2A6OPRM1OPRK1OPRL1MEN1
SCHEMBL26077071 0.79 HRH1 (0.51) POLBCYP2A6SRD5A1MEN1KMT2A
SCHEMBL761220 0.75 SRD5A1 (0.54) POLBCYP2A6SRD5A1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952503-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2015-12-09 EP disclosed
WO-2015156421-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-10-15 WO disclosed
US-9115151-B2 Substituted 2,10-dihydro-9-oxa-1,2,4A-triazaphenanthren-3-ones and uses thereof ABBVIE INC. (US) 2015-08-25 US disclosed
CN-104364253-A Tricyclic compounds as kat ii inhibitors PFIZER 2015-02-18 CN disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
US-20140206663-A1 TRIAZINONE COMPOUNDS WUXI APPTECH (SHANGHAI) CO., LTD. (CN) 2014-07-24 US disclosed
WO-2014089904-A1 TRIAZINONE COMPOUNDS ABBVIE INC. (US) 2014-06-19 WO disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-7605265-B2 Heterodimers and methods of using them Biotechnology Research Corporation Ltd. (CN) 2009-10-20 US disclosed
US-20080176308-A1 Heterodimers and Methods of Using Them BIOTECHNOLOGY RESEARCH CORPORATION LIMITED (CN) 2008-07-24 US disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
US-20060160814-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-20 US disclosed
WO-2006028957-A1 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-03-16 WO disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO disclosed
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed
CN-1063686-A With the synthetic vesnarinone of active ester method MEDICINE INST HUAXI MEDICAL UN (CN) 1992-08-19 CN disclosed
CN-1063686-A With the synthetic vesnarinone of active ester method MEDICINE INST HUAXI MEDICAL UN (CN) 1992-08-19 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 (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-20140206663-A1 TRIAZINONE COMPOUNDS THPO, IL5, CYP11B2 POLB 2191/4885CYP2A6 60/4885SRD5A1 191/4885
US-20060160814-A1 Phosphodiesterase 10 inhibitors PDE5A, PDE3A, PDE2A POLB 943/4885CYP2A6 2262/4885SRD5A1 584/4885
US-20080176308-A1 Heterodimers and Methods of Using Them GRIN2A, GRIN3A, GRIN1 POLB 1652/4885CYP2A6 4610/4885SRD5A1 2071/4885

“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.