SCHEMBL5667292

SCHEMBL5667292

C1=CN(c2cc3ccccc3[nH]2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
HRH4 Q9H3N8 5/20 0.38
AOC3 Q16853 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
FLT3 P36888 1/20 0.34
CYP2A6 P11509 1/20 0.34
AKR1C3 P42330 2/20 0.34
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
SCHEMBL4817715 0.84 HRH3 (0.42) HRH3HRH4AOC3ALDH1A1NPC1
SCHEMBL27541527 0.79 HRH3 (0.44) HRH3HRH4AOC3ALDH1A1NPC1
SCHEMBL30613385 0.73 AOC3 (0.38) HRH3HRH4AOC3ALDH1A1NPC1
SCHEMBL8087823 0.73 HRH3 (0.50) HRH3HRH4AOC3ALDH1A1NPC1
SCHEMBL29684111 0.71 HRH3 (0.49) HRH3HRH4AOC3NPC1RAB9A
SCHEMBL2940750 0.71 HRH3 (0.49) HRH3HRH4AOC3NPC1RAB9A
SCHEMBL5240716 0.71 ALDH1A1 (0.43) HRH3HRH4AOC3ALDH1A1NPC1
SCHEMBL38661680 0.70 HRH3 (0.53) HRH3HRH4AOC3ALDH1A1KDM4E
SCHEMBL92726 0.70 HRH3 (0.53) HRH3HRH4AOC3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3714613 0.70 HRH3 (0.47) HRH3HRH4AOC3NPC1RAB9A

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 59 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
CN-113861193-A Method for preparing indolopyridyl tetralone and derivatives thereof by photoinitiated free radical series reaction and products 西南大学 2021-12-31 CN disclosed
CN-113861193-A Method for preparing indolopyridyl tetralone and derivatives thereof by photoinitiated free radical series reaction and products 西南大学 2021-12-31 CN disclosed
CN-101084225-B Isoxazoline-indole derivatives with an improved antipsychotic and anxiolytic a ivity JANSSEN PHARMACEUTICA NV 2011-03-02 CN disclosed
CN-101084225-A Isoxazoline-indole derivatives with an improved antipsychotic and anxiolytic a ivity JANSSEN PHARMACEUTICA NV (BE) 2007-12-05 CN disclosed
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
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 HRH3 404/4885HRH4 286/4885AOC3 841/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 HRH3 359/4885HRH4 424/4885AOC3 2350/4885

“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.