SCHEMBL3066937

SCHEMBL3066937

Ic1ccc(N2CCNCC2)nn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 5/20 0.62
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
HTR2C P28335 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
HTT P42858 1/20 0.46
HTR6 P50406 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL5654761 0.93 BPTF (0.56) BPTFHTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL27601350 0.86 KDM4E (0.56) BPTFHTR3EHTR3BHTR3AHTR3D
SCHEMBL25106007 0.82 CYP1A2 (0.57) BPTFALDH1A1CYP1A2MAPK1HTT
SCHEMBL20255563 0.79 BPTF (0.40) BPTFHTR3ACYP1A2HTR1AHTR7
SCHEMBL20255557 0.78 ALDH1A1 (0.53) BPTFALDH1A1USP2CYP1A2CYP3A4
SCHEMBL27365980 0.77 BPTF (0.40) BPTFCASP1CASP4CASP5OGA
SCHEMBL11527143 0.77 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21815357 0.77 BPTF (0.62) BPTFHTR3EHTR3BHTR3AHTR3D
SCHEMBL21423998 0.77 BPTF (0.62) BPTFALDH1A1KDM4EHTTHSD17B10
SCHEMBL8333189 0.77 BPTF (0.62) BPTFHTR3EHTR3BHTR3AHTR3D

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
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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
WO-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 WO disclosed
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-101583600-A Acetylene derivatives as stearoyl-CoA desaturase inhibitors GLENMARK PHARMACEUTICALS SA (CH) 2009-11-18 CN disclosed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP 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
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 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 (4 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 BPTF 770/4885HTR3E 2380/4885HTR3B 2448/4885
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE TAAR5, CHRNA5, CHRNA4 BPTF 3076/4885HTR3E 68/4885HTR3B 31/4885
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance TAAR5, CHRNA5, CHRNA4 BPTF 3076/4885HTR3E 68/4885HTR3B 31/4885
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE CHRNA10, CHRNA2, CHRNA7 BPTF 2781/4885HTR3E 75/4885HTR3B 27/4885

“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.