SCHEMBL3549378

SCHEMBL3549378

Fc1ccccc1C1CNCC[N]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
KDM1B Q8NB78 1/20 0.42
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
TNKS2 Q9H2K2 2/20 0.35
HTR1A P08908 3/20 0.35
SLC6A2 P23975 3/20 0.35
NISCH Q9Y2I1 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRNA7 P36544 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4374233 0.80 CHRNB2 (0.40) KDM1AKDM1BHTR2CHTR2BHTR2A
SCHEMBL2204913 0.79 HTR2C (0.47) KDM1AHTR2CHTR2BHTR2ATNKS2
SCHEMBL10682669 0.79 CHRNB2 (0.37) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL1254662 0.79 TAAR1 (0.41) HTR2CHTR2BHTR2ATNKS2HTR1A
SCHEMBL1255269 0.79 HTR2C (0.51) HTR2CHTR2BHTR2ACHRNB2CHRNA4
SCHEMBL1254418 0.77 KDM1A (0.45) KDM1AHTR2AHTR1ASLC6A2NISCH
SCHEMBL1254378 0.76 HTR2C (0.51) HTR2CHTR2BHTR2AHTR1ASLC6A2
SCHEMBL2199708 0.76 HTR2C (0.41) KDM1AHTR2CHTR2BHTR2ASLC6A2
SCHEMBL571789 0.74 SLC18A3 (0.41) KDM1ANISCHTAAR1
SCHEMBL1255263 0.73 HTR2C (0.50) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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 51 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-2678327-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS Lupin Limited (IN) 2014-01-01 EP claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
WO-2012114285-A9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-10-18 WO claimed
WO-2012114285-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2012-08-30 WO 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
EP-1095043-A1 TRIOXANE DERIVATIVES The Hong Kong University of Science & Technology (HK) 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 (4 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-10111884-B2 Methods and compositions for treating viral infections MAVS, EIF2AK2, HAVCR2 KDM1A 2648/4885KDM1B 2494/4885NOS3 568/4885
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A KDM1A 621/4885KDM1B 1129/4885NOS3 411/4885
US-20070021409-A1 Antiparasitic artemisinin derivatives (endoperoxides) DHPS, CASP10, FECH KDM1A 4297/4885KDM1B 4691/4885NOS3 249/4885
US-20070191354-A1 Antiparasitic artemisinin derivatives (endoperoxides) DHPS, CASP10, FECH KDM1A 4297/4885KDM1B 4691/4885NOS3 249/4885

“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.