SCHEMBL5385667

SCHEMBL5385667

[CH2]c1ccc(OC(C)C2CNCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.42
SLC6A4 P31645 15/20 0.42
SLC6A3 Q01959 11/20 0.42
MLNR O43193 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH1 P35367 3/20 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
SCHEMBL6801248 0.83 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL7324971 0.82 ALDH1A3 (0.46) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL2463271 0.78 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL557367 0.74 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL932915 0.73 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3196075 0.73 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3188474 0.73 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27513995 0.72 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL6377353 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2HRH1
SCHEMBL14938574 0.71 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MLNRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US claimed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US claimed
EP-1633692-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP claimed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US claimed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 WO claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US claimed
US-5710286-A Processes and intermediates for the preparation of cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 US claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
US-5466797-A Intermediates for the preparation of cyclic urea THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-14 US claimed
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
EP-1633692-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-1996000728-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed
US-5466797-A Intermediates for the preparation of cyclic urea THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-14 US 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-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators ESR2, GPER1, ESR1 SLC6A2 4155/4885SLC6A4 3380/4885SLC6A3 3606/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 SLC6A2 4155/4885SLC6A4 3380/4885SLC6A3 3606/4885

“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.