SCHEMBL164552

SCHEMBL164552

CN(C)CCc1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.60
HRH3 Q9Y5N1 4/20 0.60
CHRNA7 P36544 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
AOC3 Q16853 3/20 0.40
HTR7 P34969 1/20 0.39
KCNH2 Q12809 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
SCHEMBL188525 0.86 SIGMAR1 (0.53) TAAR1HRH3SIGMAR1AOC3KCNH2
SCHEMBL28441873 0.83 SIGMAR1 (0.66) TAAR1HRH3SIGMAR1KCNH2
SCHEMBL18762839 0.82 HRH3 (0.84) TAAR1HRH3CHRNA7SIGMAR1AOC3
Water SCHEMBL9747156 0.78 TAAR1 (0.95) TAAR1HRH3CHRNA7SIGMAR1AOC3
SCHEMBL28847523 0.78 HRH3 (0.56) HRH3SIGMAR1
SCHEMBL2463325 0.77 KCNH2 (0.44) HRH3SIGMAR1AOC3HTR7KCNH2
SCHEMBL5131320 0.77 SIGMAR1 (0.42) TAAR1HRH3SIGMAR1KCNH2
SCHEMBL10345743 0.77 HRH3 (0.36) TAAR1HRH3SIGMAR1AOC3
SCHEMBL6576818 0.76 GFER (0.40) TAAR1KCNH2
SCHEMBL4911668 0.76 TAAR1 (0.34) TAAR1HRH3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US claimed
US-20210246137-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-08-12 US claimed
US-10988472-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-04-27 US claimed
EP-3758706-A2 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME The Regents Of The University Of Colorado (US) 2021-01-06 EP claimed
US-20200405723-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2020-12-31 US claimed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-10-17 US claimed
EP-3526220-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2019-08-21 EP claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2013055910-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-04-18 WO claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
WO-2000078826-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-12-28 WO claimed
EP-0078152-B1 SALTS OF SULFODEHYDROABIETIC ACID AND TREATMENT OF GASTRO-INTESTINAL DISEASES Tanabe Seiyaku Co., Ltd. (JP) 1986-05-07 EP claimed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 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 (9 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-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, AURKB, AURKA TAAR1 2318/4885HRH3 2850/4885CHRNA7 4288/4885
US-10988472-B2 Compounds and method for blocking transmission of malarial parasite PLK1, AURKB, AURKA TAAR1 2318/4885HRH3 2850/4885CHRNA7 4288/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 TAAR1 2553/4885HRH3 2849/4885CHRNA7 4199/4885
US-20200405723-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 TAAR1 4678/4885HRH3 2958/4885CHRNA7 4825/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TAAR1 2823/4885HRH3 1402/4885CHRNA7 1965/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TAAR1 3175/4885HRH3 1764/4885CHRNA7 2427/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TAAR1 3175/4885HRH3 1764/4885CHRNA7 2427/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR TAAR1 4036/4885HRH3 3324/4885CHRNA7 4716/4885
US-20210246137-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, HSP90B1, CEP170 TAAR1 2553/4885HRH3 2849/4885CHRNA7 4199/4885

“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.