SCHEMBL5667289

SCHEMBL5667289

C1=NC(c2cc3ccccc3[nH]2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
FLT3 P36888 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAOB P27338 1/20 0.33
CHRNA7 P36544 1/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 1/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4172788 0.78 AOC3 (0.38) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL2036346 0.77 AOC3 (0.37) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL1199883 0.73 AOC3 (0.36) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL3640169 0.72 AOC3 (0.44) AOC3NPC1RAB9AKDM4EMAPT
SCHEMBL73543 0.71 AOC3 (0.47) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL10441226 0.70 AOC3 (0.42) AOC3NPC1RAB9AKDM4ELOXL2
SCHEMBL6573678 0.69 AKR1C3 (0.33) HRH3KDM4EMAPTLOXL2ALDH1A1
SCHEMBL5584506 0.68 AOC3 (0.40) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL28011903 0.68 AOC3 (0.37) AOC3SLC6A3SLC6A4NPC1RAB9A
SCHEMBL3389545 0.68 NOS1 (0.46) SLC6A3ALDH1A1CYP2A6MAOBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003200-B1 TETRAHYDROPYRIDINYL INDOLE DERIVATIVES AND THEIR SALTS FOR USE IN A METHOD FOR THERAPEUTIC TREATMENT OF THE HUMAN OR ANIMAL BODY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-08-13 EP claimed
EP-0022705-B1 DERIVATIVES OF TETRAHYDROPYRIDINYL-INDOL AND THEIR SALTS, THEIR PREPARATION, THEIR APPLICATION AS MEDICINES, AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1983-04-06 EP claimed
EP-0003199-B1 TETRAHYDROPYRIDINYL INDOLE DERIVATIVES AND THEIR SALTS, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1981-11-11 EP claimed
EP-0022705-A1 Derivatives of tetrahydropyridinyl-indol and their salts, their preparation, their application as medicines, and compositions containing them ROUSSEL-UCLAF (FR) 1981-01-21 EP claimed
EP-0003199-A2 Tetrahydropyridinyl indole derivatives and their salts, process for their preparation, their use as medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP claimed
EP-0003200-A2 Tetrahydropyridinyl indole derivatives and their salts for use in a method for therapeutic treatment of the human or animal body and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP claimed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
US-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-09-12 US disclosed
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 US disclosed
EP-1089997-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H.Lundbeck A/S (DK) 2001-04-11 EP disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
EP-0022705-A1 Derivatives of tetrahydropyridinyl-indol and their salts, their preparation, their application as medicines, and compositions containing them ROUSSEL-UCLAF (FR) 1981-01-21 EP disclosed
EP-0003199-A2 Tetrahydropyridinyl indole derivatives and their salts, process for their preparation, their use as medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP disclosed
EP-0003199-A2 Tetrahydropyridinyl indole derivatives and their salts, process for their preparation, their use as medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP disclosed
EP-0003199-A2 Tetrahydropyridinyl indole derivatives and their salts, process for their preparation, their use as medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP disclosed
EP-0003200-A2 Tetrahydropyridinyl indole derivatives and their salts for use in a method for therapeutic treatment of the human or animal body and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP disclosed
EP-0003200-A2 Tetrahydropyridinyl indole derivatives and their salts for use in a method for therapeutic treatment of the human or animal body and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 EP disclosed
EP-0003200-A2 Tetrahydropyridinyl indole derivatives and their salts for use in a method for therapeutic treatment of the human or animal body and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-07-25 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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use HTR2C, HTR1A, HTR7 AOC3 841/4885SLC6A3 93/4885SLC6A4 31/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 AOC3 2350/4885SLC6A3 58/4885SLC6A4 28/4885

“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.