SCHEMBL4191964

SCHEMBL4191964

NCCOc1cccc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
PARP1 P09874 1/20 0.45
HTR1B P28222 2/20 0.44
SLC6A4 P31645 3/20 0.43
HTR1A P08908 1/20 0.43
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 2/20 0.38
HRH1 P35367 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MTNR1A P48039 4/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL7524518 0.91 KDM4E (0.44) KDM4EPARP1HTR1BSLC6A4HTR1A
SCHEMBL7827780 0.84 SLC6A4 (0.43) PARP1SLC6A4HTR1ARAB9ASLC6A2
SCHEMBL31561756 0.84 SLC6A4 (0.43) PARP1SLC6A4HTR1ARAB9ASLC6A2
SCHEMBL13534211 0.83 SLC6A4 (0.45) KDM4EPARP1HTR1BSLC6A4HTR1A
SCHEMBL13533397 0.80 MCHR1 (0.45) PARP1SLC6A4HTR1ATP53SLC6A2
SCHEMBL13533372 0.79 SLC6A4 (0.43) PARP1SLC6A4HTR1ASLC6A2HRH1
SCHEMBL7481895 0.79 MTNR1A (0.58) KDM4EHTR1BSLC6A4HTR1ATP53
SCHEMBL13533385 0.76 PARP1 (0.41) PARP1SLC6A4HTR1ARAB9ASLC6A2
SCHEMBL7519010 0.75 HTR1A (0.38) SLC6A4HTR1AMTNR1AHTR2A
SCHEMBL5785526 0.74 PARP1 (0.47) KDM4EPARP1SLC6A4SLC6A2HRH1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082582-A1 Process For Preparing [2-(2,3- Dihydrobenzofuran - Or Benzofuran-7-Yloxy)Ethyl]-(3 -Cyclopent-1-Ylbenzyl)Amine Derivatives and Synthesis Intermediate PIERRE FABRE MEDICAMENT (FR) 2009-03-26 US disclosed
EP-1996570-A1 PROCESS FOR PREPARING [2-(2,3-DIHYDROBENZOFURAN- OR BENZOFURAN-7-YLOXY)ETHYL]-(3-CYCLOPENT-1-YLBENZYL)AMINE DERIVATIVES AND SYNTHESIS INTERMEDIATE Pierre Fabre Médicament S.A. (FR) 2008-12-03 EP disclosed
WO-2007104872-A1 PROCESS FOR PREPARING [2-(2,3-DIHYDROBENZOFURAN- OR BENZOFURAN-7-YLOXY)ETHYL]-(3-CYCLOPENT-1-YLBENZYL)AMINE DERIVATIVES AND SYNTHESIS INTERMEDIATE PIERRE FABRE MEDICAMENT (FR) 2007-09-20 WO disclosed
US-7235568-B2 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-06-26 US disclosed
US-7163957-B2 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-01-16 US disclosed
US-20060264471-A1 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derviatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2006-11-23 US disclosed
EP-1551821-B1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2006-05-17 EP disclosed
US-20060014827-A1 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2006-01-19 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 (3 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-20060264471-A1 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derviatives and use thereof as medicines for treating schizophrenia CNR2, CNR1, DBH KDM4E 2093/4885PARP1 4214/4885HTR1B 98/4885
US-20090082582-A1 Process For Preparing [2-(2,3- Dihydrobenzofuran - Or Benzofuran-7-Yloxy)Ethyl]-(3 -Cyclopent-1-Ylbenzyl)Amine Derivatives and Synthesis Intermediate TAC3, NCAPD3, PAH KDM4E 3219/4885PARP1 1632/4885HTR1B 1581/4885
US-20060014827-A1 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia CHRNA3, CHRNB3, CNR2 KDM4E 3078/4885PARP1 4642/4885HTR1B 253/4885

“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.