SCHEMBL1071202

SCHEMBL1071202

CC1(c2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4534192 0.83 HTR2A (0.47) HTR2AMMP2MMP9OPRM1OPRK1
SCHEMBL6544207 0.77 OPRM1 (0.44) HTR2AMMP2MMP9OPRM1OPRK1
SCHEMBL31504306 0.77 HTR2A (0.41) HTR2AMMP2MMP9OPRM1OPRK1
SCHEMBL10046441 0.75 SLC6A4 (0.43) HTR2ACHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL21312268 0.75 OPRM1 (0.42) HTR2AOPRM1OPRK1OPRL1
SCHEMBL15995122 0.75 OPRM1 (0.42) HTR2AOPRM1OPRK1OPRL1
SCHEMBL15995119 0.75 OPRM1 (0.42) HTR2AOPRM1OPRK1OPRL1
SCHEMBL6185187 0.73 MMP2 (0.42) HTR2AMMP2MMP9OPRM1OPRL1
SCHEMBL8096947 0.73 MMP2 (0.34) HTR2AMMP2MMP9OPRM1OPRK1
SCHEMBL10708233 0.73 OPRM1 (0.41) HTR2AOPRM1OPRK1OPRL1SLC6A2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
WO-2015103505-A2 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS ESS DANIEL HALSELL (US) 2015-07-09 WO disclosed
WO-2015103505-A2 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS ESS DANIEL HALSELL (US) 2015-07-09 WO disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed
EP-2394989-A1 Method for producing a N-substituted aziridine BASF SE (DE) 2011-12-14 EP disclosed
EP-2275408-A1 Method for synthesizing a n-substituted aziridine BASF SE (DE) 2011-01-19 EP disclosed
US-20100191000-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE BASF SE (DE) 2010-07-29 US disclosed
CN-101679234-A Method for synthesizing N-unsubstituted or N-substituted aziridine BASF SE 2010-03-24 CN disclosed
EP-2160379-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE BASF SE (DE) 2010-03-10 EP disclosed
WO-2008155355-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE BASF SE (DE) 2008-12-24 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 (2 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-20100191000-A1 METHOD FOR SYNTHESIZING AN N-UNSUBSTITUTED OR N-SUBSTITUTED AZIRIDINE CBR1, CBR3, AOC2 HTR2A 257/4885MMP2 2750/4885MMP9 3264/4885
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS AAAS, NISCH, HNMT HTR2A 62/4885MMP2 4410/4885MMP9 3555/4885

“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.