SCHEMBL3915604

SCHEMBL3915604

C1=NCCC(c2cc3ccccc3[nH]2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.39
SLC6A3 Q01959 3/20 0.37
SLC6A4 P31645 1/20 0.37
AOC3 Q16853 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNA7 P36544 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL5584506 0.81 AOC3 (0.40) VCPSLC6A3SLC6A4AOC3NPC1
SCHEMBL73543 0.78 AOC3 (0.47) SLC6A3SLC6A4AOC3NPC1RAB9A
SCHEMBL1199883 0.76 AOC3 (0.36) VCPSLC6A3SLC6A4AOC3NPC1
SCHEMBL3640169 0.75 AOC3 (0.44) AOC3NPC1RAB9ALOXL2KDM4E
SCHEMBL10441226 0.74 AOC3 (0.42) AOC3NPC1RAB9ALOXL2KDM4E
SCHEMBL29688552 0.72 MAOB (0.49) SLC6A3SLC6A4AOC3MAPT
SCHEMBL1237690 0.72 MAOB (0.49) SLC6A3SLC6A4AOC3MAPT
SCHEMBL7968720 0.70 HTR2A (0.47) SLC6A3SLC6A4AOC3NPC1RAB9A
SCHEMBL12534038 0.69 AOC3 (0.41) SLC6A3SLC6A4AOC3NPC1RAB9A
SCHEMBL6087786 0.69 SMYD3 (0.42) VCPSLC6A3SLC6A4AOC3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371769-B2 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-13 US claimed
EP-1828168-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP claimed
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-22 US claimed
WO-2006061373-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO claimed
US-20060122206-A1 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US claimed
EP-1824486-B1 BENZDIOXANE PIPERAZINE DERIVATIVES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARM BV (NL) 2009-03-18 EP disclosed
US-7371769-B2 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-13 US disclosed
US-7371769-B2 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-13 US disclosed
US-7371769-B2 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-13 US disclosed
CN-101072770-A Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARM BV (NL) 2007-11-14 CN disclosed
CN-101072770-A Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARM BV (NL) 2007-11-14 CN disclosed
EP-1828168-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP disclosed
EP-1076658-A1 SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP disclosed
EP-1073651-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055697-A1 SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed
WO-1999055695-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed
US-RE34299-E Psychological disorders, neuroleptic agents, analgesics H. LUNDBECK A/S (DK) 1993-06-29 US disclosed
EP-0200322-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1990-02-28 EP disclosed
US-4710500-A 1-(4'-fluorophenyl)-3,5-substituted indoles useful in the treatment of psychic disorders and pharmaceutical compositions thereof H. LUNDBECK A/S (DK) 1987-12-01 US disclosed
EP-0200322-A1 Heterocyclic compounds H. LUNDBECK A/S (DK) 1986-11-05 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-20060122206-A1 Tetrahydropyridin-4-yl indoles with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SLC6A3, HTR3C, DRD3 VCP 3647/4885SLC6A3 1/4885SLC6A4 12/4885
US-20070066634-A2 TETRAHYDROPYRIDIN-4-YL INDOLES WITH A COMBINATION OF AFFINITY FOR DOPAMINE-D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SLC6A3, HTR3C, DRD3 VCP 3647/4885SLC6A3 1/4885SLC6A4 12/4885

“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.