SCHEMBL4436585

SCHEMBL4436585

FC1(c2ccccc2)CNCC[N]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
OPRM1 P35372 1/20 0.38
MAOB P27338 7/20 0.34
MAOA P21397 4/20 0.34
CACNA1F O60840 1/20 0.33
AR P10275 1/20 0.33
PDE4A P27815 1/20 0.33
SCN1A P35498 1/20 0.33
SCN4A P35499 1/20 0.33
SCN7A Q01118 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN11A Q9UI33 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL654291 0.77 HTR2A (0.47) HTR2AOPRM1CACNA1FARPDE4A
SCHEMBL2201139 0.74 HTR2A (0.44) HTR2AOPRM1MAOACACNA1FAR
SCHEMBL1254663 0.74 HTR2A (0.44) HTR2AOPRM1CACNA1FARPDE4A
SCHEMBL10682672 0.74 HTR2A (0.44) HTR2AOPRM1CACNA1FARPDE4A
SCHEMBL1255270 0.74 HTR2A (0.41) HTR2AOPRM1MAOBMAOACACNA1F
SCHEMBL6002896 0.70 HTR2A (0.38) HTR2AOPRM1CACNA1FARPDE4A
SCHEMBL1255254 0.70 HTR2A (0.41) HTR2AOPRM1CACNA1FARPDE4A
SCHEMBL2204712 0.69 HTR2A (0.40) HTR2AOPRM1MAOBMAOAKCNH2
SCHEMBL9571716 0.68 HTR2A (0.39) HTR2AOPRM1CACNA1FARPDE4A
SCHEMBL6361063 0.68 HTR2A (0.39) HTR2AOPRM1MAOBMAOAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US claimed
US-7439238-B2 Antiparasitic artemisinin derivatives (endoperoxides) THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2008-10-21 US claimed
US-20070191354-A1 Antiparasitic artemisinin derivatives (endoperoxides) BAYER AKTIENGESELLSCHAFT (DE) 2007-08-16 US claimed
US-20070021409-A1 Antiparasitic artemisinin derivatives (endoperoxides) BAYER AKTIENGESELLSCHAFT (DE) 2007-01-25 US claimed
EP-1095042-B9 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER HEALTHCARE AG (DE) 2006-07-05 EP claimed
EP-1655302-A2 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) Bayer HealthCare AG (DE) 2006-05-10 EP claimed
EP-1095042-B1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER HEALTHCARE AG (DE) 2005-12-28 EP claimed
EP-1095042-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) Bayer Aktiengesellschaft (DE) 2001-05-02 EP claimed
WO-2000004024-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 WO claimed
US-10111884-B2 Methods and compositions for treating viral infections HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2018-10-30 US disclosed
EP-2838903-B1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS UNIV HONG KONG SCIENCE & TECH (CN) 2017-09-06 EP disclosed
US-9616067-B2 Methods and compositions for treating viral infections HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2017-04-11 US disclosed
US-20170071952-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-03-16 US disclosed
EP-1095043-A1 TRIOXANE DERIVATIVES The Hong Kong University of Science & Technology (HK) 2001-05-02 EP disclosed
EP-1095042-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) Bayer Aktiengesellschaft (DE) 2001-05-02 EP disclosed
WO-2000004024-A1 ANTIPARASITIC ARTEMISININ DERIVATIVES (ENDOPEROXIDES) BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed
WO-2000004026-A1 TRIOXANE DERIVATIVES THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2000-01-27 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 (5 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-20170071952-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL INFECTIONS MAVS, EIF2AK2, HAVCR2 HTR2A 4401/4885OPRM1 4627/4885MAOB 3398/4885
US-10111884-B2 Methods and compositions for treating viral infections MAVS, EIF2AK2, HAVCR2 HTR2A 4401/4885OPRM1 4627/4885MAOB 3398/4885
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A HTR2A 1107/4885OPRM1 994/4885MAOB 3381/4885
US-20070021409-A1 Antiparasitic artemisinin derivatives (endoperoxides) DHPS, CASP10, FECH HTR2A 3418/4885OPRM1 4613/4885MAOB 2832/4885
US-20070191354-A1 Antiparasitic artemisinin derivatives (endoperoxides) DHPS, CASP10, FECH HTR2A 3418/4885OPRM1 4613/4885MAOB 2832/4885

“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.