SCHEMBL3055985

SCHEMBL3055985

c1ccc2c(c1)ncn2-c1ccc(N2CCNCC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ADRB1 P08588 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
HTR3B O95264 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2C P28335 1/20 0.50
MAPK1 P28482 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTR3A P46098 1/20 0.50
HTR6 P50406 1/20 0.50
PMP22 Q01453 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Fumaric Acid SCHEMBL27619909 0.89 KDM4E (0.59) HTTADRB1HTR3EKDM4EUSP2
SCHEMBL31241183 0.83 POLB (0.67) HTTALDH1A1MAPK1TDP1POLB
SCHEMBL15552711 0.82 HTT (0.49) HTTADRB1HTR3EKDM4EUSP2
Hydrochloric Acid SCHEMBL29399638 0.78 HTT (0.58) HTTADRB1HTR3EHTR3BHTR3A
SCHEMBL4118961 0.76 PIK3CB (0.69) HTTADRB1HRH4MKNK1PIK3CB
SCHEMBL6625463 0.72 PIK3CB (0.85) POLBMKNK1PIK3CBMKNK2
SCHEMBL3066937 0.70 BPTF (0.62) HTTADRB1HTR3EKDM4EUSP2
SCHEMBL1249938 0.69 TDP1 (0.42) HTTADRB1HTR3EKDM4EUSP2
SCHEMBL2760767 0.68 CHRNA7 (0.61) HTTADRB1HTR3EKDM4EUSP2
SCHEMBL2469253 0.68 POLB (0.60) HTTALDH1A1MAPK1POLBMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4312456-B2 2009-08-12 JP claimed
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2007-11-15 US claimed
EP-1757600-A2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NeuroSearch A/S (DK) 2007-02-28 EP claimed
CN-1635877-A Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2005-07-06 CN claimed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US claimed
JP-2004510813-A 2004-04-08 JP claimed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP claimed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO claimed
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2010-10-21 US disclosed
CN-100398103-C Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2008-07-02 CN disclosed
US-7307087-B2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH A/S (DK) 2007-12-11 US disclosed
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2007-11-15 US disclosed
EP-1757600-A2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NeuroSearch A/S (DK) 2007-02-28 EP disclosed
CN-1635877-A Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2005-07-06 CN disclosed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US disclosed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP disclosed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 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 (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-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE TAAR5, CHRNA5, CHRNA4 HTT 436/4885ADRB1 135/4885HTR3E 68/4885
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance TAAR5, CHRNA5, CHRNA4 HTT 436/4885ADRB1 135/4885HTR3E 68/4885
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE CHRNA10, CHRNA2, CHRNA7 HTT 539/4885ADRB1 133/4885HTR3E 75/4885

“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.