SCHEMBL3339883

SCHEMBL3339883

CCN(CC)CCc1cccc(-c2c(C)noc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.53
BRD2 P25440 4/20 0.53
CREBBP Q92793 4/20 0.53
FFAR1 O14842 5/20 0.47
HTR7 P34969 2/20 0.46
HTR1A P08908 1/20 0.44
EP300 Q09472 1/20 0.43

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
SCHEMBL3336143 0.91 BRD4 (0.52) BRD4BRD2CREBBPFFAR1HTR7
SCHEMBL3338755 0.86 HTR7 (0.62) BRD4BRD2CREBBPFFAR1HTR7
SCHEMBL12881340 0.85 BRD4 (0.59) BRD4BRD2CREBBPFFAR1
SCHEMBL5217255 0.81 BRD4 (0.55) BRD4BRD2CREBBPFFAR1HTR7
SCHEMBL3341215 0.79 HTR7 (0.71) FFAR1HTR7HTR1A
SCHEMBL3340053 0.78 BRD4 (0.52) BRD4BRD2CREBBPFFAR1
SCHEMBL16675743 0.77 BRD4 (0.58) BRD4BRD2CREBBPFFAR1
SCHEMBL28047388 0.77 BRD4 (0.57) BRD4BRD2CREBBPFFAR1
SCHEMBL20946455 0.77 BRD4 (0.57) BRD4BRD2CREBBPFFAR1
SCHEMBL3341674 0.76 CHEK1 (0.49) BRD4CREBBPHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US claimed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US claimed
EP-2148674-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
EP-2114894-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-11 EP claimed
WO-2008145335-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-04 WO claimed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP claimed
EP-1997807-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP claimed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO claimed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP claimed
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
EP-1997807-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO disclosed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP disclosed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP 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-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND OPRL1, OPRM1, OPRK1 BRD4 3952/4885BRD2 4756/4885CREBBP 2985/4885
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments PKM, PKLR, HNMT BRD4 1530/4885BRD2 2799/4885CREBBP 1993/4885

“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.