SCHEMBL187890

SCHEMBL187890

CCN(CC)CCOc1cc[c]cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
CYP2D6 P10635 2/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56
LTA4H P09960 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MCHR1 Q99705 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
CHRNA7 P36544 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
KCNH2 Q12809 2/20 0.48
ESR1 P03372 2/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL19419 0.91 KDM4E (0.54) EBPSIGMAR1HRH3KDM4E
SCHEMBL5536172 0.89 MAOA (0.50)
SCHEMBL5542660 0.87 MAOA (0.52)
SCHEMBL5542033 0.87 MAOA (0.52)
SCHEMBL10372509 0.87 BCHE (0.45) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL9706125 0.86 EBP (0.72) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL25288225 0.84 EBP (0.43) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL2181408 0.83 DRD2 (0.44) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL2181780 0.82 DRD2 (0.46) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL11522619 0.80 EBP (0.36) EBPSIGMAR1CYP2D6HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN 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
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP claimed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 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
US-7452914-B2 Spiro-benzo[c]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-18 US claimed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US claimed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US claimed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US claimed
JP-2007521323-A 2007-08-02 JP claimed
US-5665780-A DEACTIVATING P-GLYCOPROTEIN PUMP IN TUMORS; CANCER TREATMENT MERRELL PHARMACEUTICALS INC. (US) 1997-09-09 US claimed
EP-0624090-B1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES MERRELL PHARMA INC (US) 1996-09-18 EP claimed
EP-0624090-A1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES. MERRELL DOW PHARMA (US) 1994-11-17 EP claimed
WO-1993015733-A1 REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO claimed
US-5231105-A Ethylamine derivatives and antihypertensives containing the same AJINOMOTO CO., INC. (JP) 1993-07-27 US claimed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
EP-0093515-B1 TRICYCLIC TRIAZINO COMPOUNDS, THEIR USE AND FORMULATION AS PHARMACEUTICALS AND PROCESSES FOR THEIR PRODUCTION FISONS plc (GB) 1987-01-21 EP claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
US-4499269-A IMMUNO-REGULANT, SKIN DISORDERS, ANTITUMOR AGENTS FISONS PLC (GB) 1985-02-12 US claimed
EP-0093515-A1 Tricyclic triazino compounds, their use and formulation as pharmaceuticals and processes for their production FISONS plc (GB) 1983-11-09 EP 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 (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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 EBP 1026/4885SIGMAR1 420/4885CYP2D6 998/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR EBP 3660/4885SIGMAR1 4519/4885CYP2D6 125/4885

“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.