SCHEMBL221122

SCHEMBL221122

COc1[c]ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP2A6 P11509 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NQO1 P15559 1/20 0.38
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.36
HPRT1 P00492 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL2253950 0.82 NQO1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2CYP2A6
SCHEMBL8125064 0.82 LTA4H (0.46) MAPTALDH1A1KDM4ESMN1; SMN2CYP2A6
SCHEMBL2502508 0.80 MAPT (0.34) MAPTALDH1A1KDM4ESMN1; SMN2CYP2A6
SCHEMBL2498961 0.80 MAPT (0.34) MAPTALDH1A1KDM4ECYP2A6TSHR
SCHEMBL2505168 0.79 ALDH1A1 (0.37) MAPTALDH1A1KDM4ECYP2A6TSHR
SCHEMBL1452144 0.79 ALOX5 (0.37) ALDH1A1KDM4ECYP2A6TSHRHSD17B10
SCHEMBL15232707 0.79 CYP2A6 (0.34) MAPTALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL8492149 0.79 CYP2A6 (0.34) MAPTALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2504735 0.79 MAPT (0.42) MAPTALDH1A1KDM4ECYP2A6TSHR
SCHEMBL2498963 0.78 KDM1A (0.39) MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110092788-B Substituted [1,2,4] triazolo [1,5-a ] pyrimidin-7-yl compounds as PDE2 inhibitors 达特神经科学(开曼)有限公司 2022-02-25 CN claimed
EP-3597649-B1 COMPOSITIONS CONTAINING SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2021-10-13 EP claimed
EP-3134413-B1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-09-11 EP claimed
US-9932345-B2 Substituted [1,2,4]triazolo[1,5-A]pyrimidin-7-yl compounds as PDE2 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-04-03 US claimed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US claimed
US-20170057967-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE LLC 2017-03-02 US claimed
EP-3134413-A1 SUBSTITUTED [1,2,4]TRIAZOLO [1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2017-03-01 EP claimed
US-9296738-B2 Organic electroluminescent material, the process for preparing the same and OLED device using the same EVERDISPLAY OPTRONICS (SHANGHAI) LIMITED (CN) 2016-03-29 US claimed
WO-2015164508-A1 SUBSTITUTED [1,2,4] TRIAZOLO [1,5-A] PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS DART NEUROSCIENCE, LLC (US) 2015-10-29 WO claimed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP claimed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US claimed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
US-5821024-A POLYESTER BINDER OF A DICARBOXYLIC ACID AND A POLYOL BLEND OF ETHERIFIED DIPHENOLS EASTMAN KODAK COMPANY (US) 1998-10-13 US claimed
EP-0132854-B1 PROCESS FOR THE OPTICAL RESOLUTION OF (+/-) 2-(6'-METHOXY-2'-NAPHTHYL)-PROPIONIC ACIDS Nobel Chemicals AB (SE) 1987-08-05 EP claimed
US-4276375-A CONTACTING WITH CHROMOGENIC OR FLUOROGENIC SUBSTRATE, SPECTROPHOTOMETRY AB KABI (SE) 1981-06-30 US claimed
US-4207232-A FOR SERINE PROTEASES AB KABI (SE) 1980-06-10 US claimed
US-4066758-A ANTITHROMBOTIC MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-03 US 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 (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-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 MAPT 2461/4885ALDH1A1 777/4885KDM4E 759/4885
US-20170057967-A1 SUBSTITUTED [1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, TDP2 MAPT 774/4885ALDH1A1 1555/4885KDM4E 3053/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 MAPT 744/4885ALDH1A1 1331/4885KDM4E 1388/4885

“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.