SCHEMBL4079255

SCHEMBL4079255

CN1CCC(=C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 1.00
OPRD1 P41143 5/20 0.65
LMNA P02545 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
HTR2A P28223 1/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
CHRNA4 P43681 1/20 0.55
HTR3A P46098 1/20 0.55
KCNH2 Q12809 1/20 0.55
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRK1 P41145 4/20 0.47
OPRM1 P35372 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL11488710 0.88 SETD7 (0.79) SETD7OPRD1LMNACHRM2CYP2D6
SCHEMBL14262785 0.82 SETD7 (0.67) SETD7OPRD1LMNACHRM2CYP2D6
SCHEMBL4926062 0.81 OPRD1 (1.00) SETD7OPRD1OPRK1OPRM1
SCHEMBL13437754 0.81 SETD7 (0.66) SETD7OPRD1OPRM1DRD2DRD1
SCHEMBL14262771 0.80 SETD7 (0.67) SETD7OPRD1MEN1KMT2AMAOA
SCHEMBL14198384 0.80 SETD7 (0.66) SETD7OPRD1LMNACHRM2CYP2D6
SCHEMBL1774131 0.79 SETD7 (0.64) SETD7OPRD1LMNACHRM2CYP2D6
SCHEMBL14198385 0.79 SETD7 (0.65) SETD7OPRD1LMNACHRM2CYP2D6
SCHEMBL14262776 0.78 SETD7 (0.61) SETD7OPRD1LMNACHRM2CYP2D6
SCHEMBL11391911 0.78 SETD7 (0.64) SETD7OPRD1LMNACHRM2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-9493420-B2 Quinoline derivatives and uses thereof PORTLAND STATE UNIVERSITY (US) 2016-11-15 US disclosed
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF STATE UNIVERSITY (US) 2013-11-21 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-8524739-B2 Quinoline derivatives and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2013-09-03 US disclosed
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF Board of Higher Education on behalf of Portland State University 2011-10-20 US disclosed
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF Board of Higher Education on behalf of Portland State University 2011-10-20 US disclosed
US-7968539-B2 reversed chloroquines; to treat chloroquine resistant/sensitive malaria parasites; N'-(7-Chloro-quinolin-4-yl)-N-[3-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-propyl]-N-methyl-propane-1,3-diamine STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2011-06-28 US disclosed
US-7968539-B2 reversed chloroquines; to treat chloroquine resistant/sensitive malaria parasites; N'-(7-Chloro-quinolin-4-yl)-N-[3-(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-propyl]-N-methyl-propane-1,3-diamine STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2011-06-28 US disclosed
EP-1742707-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2009-08-05 EP disclosed
EP-1742707-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2007-01-17 EP disclosed
WO-2005103041-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-12-22 WO disclosed
WO-2005103041-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2005-11-03 WO disclosed
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2005-04-14 US disclosed
US-20050009730-A1 Treatment of cns disorders using cns target modulators HYPNION, INC. 2005-01-13 US disclosed
WO-2003032912-A9 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2005-01-06 WO disclosed
EP-1443929-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS Hypnion, Inc. (US) 2004-08-11 EP disclosed
US-20040142972-A1 CNS target modulators HYPNION, INC. 2004-07-22 US disclosed
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HYPNION, INC. 2003-10-02 US disclosed
WO-2003032912-A2 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION, INC. (US) 2003-04-24 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 (6 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-20050009730-A1 Treatment of cns disorders using cns target modulators HCRTR2, CNR2, CNR1 SETD7 1332/4885OPRD1 645/4885LMNA 3626/4885
US-20130310348-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 SETD7 2366/4885OPRD1 3693/4885LMNA 3368/4885
US-20030187021-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, CNR2, CNR1 SETD7 1332/4885OPRD1 645/4885LMNA 3626/4885
US-20110257160-A1 QUINOLINE DERIVATIVES AND USES THEREOF RECQL, QARS1, QTRT1 SETD7 2366/4885OPRD1 3693/4885LMNA 3368/4885
US-20050080265-A1 Treatment of CNS disorders using CNS target modulators HCRTR2, HRH3, HCRTR1 SETD7 838/4885OPRD1 554/4885LMNA 4049/4885
US-20040142972-A1 CNS target modulators HCRTR2, CNR2, CNR1 SETD7 1434/4885OPRD1 399/4885LMNA 4095/4885

“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.