SCHEMBL2086948

SCHEMBL2086948

CN1C2CCCC1CC(NC(=O)c1n[nH]c3ccccc13)C2

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
HTR3A P46098 10/20 0.64
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3D Q70Z44 2/20 0.64
HTR3C Q8WXA8 2/20 0.64
SLC22A2 O15244 1/20 0.64
CHRNB2 P17787 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA4 P43681 1/20 0.64
KCNH2 Q12809 1/20 0.64
SLC47A1 Q96FL8 1/20 0.64
GSK3B P49841 1/20 0.60
DYRK1A Q13627 1/20 0.60
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL2087490 1.00 NPC1 (0.68) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL12441936 1.00 NPC1 (0.68) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL2086084 0.95 NPC1 (0.67) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL19236410 0.91 NPC1 (0.62) NPC1RAB9AHTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL17163423 0.89 NPC1 (0.60) NPC1RAB9AHTR3AHTR3EHTR3B
Trifluoroacetic Acid SCHEMBL17163426 0.89 NPC1 (0.60) NPC1RAB9AHTR3AHTR3EHTR3B
Indisetron SCHEMBL18311525 0.89 NPC1 (0.61) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL7345995 0.89 NPC1 (0.61) NPC1RAB9AHTR3AHTR3EHTR3B
SCHEMBL8713946 0.89 NPC1 (0.61) NPC1RAB9AHTR3AGSK3BDYRK1A
SCHEMBL7339115 0.89 NPC1 (0.61) NPC1RAB9AHTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP claimed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US claimed
EP-0498466-B1 Indazole-3-carboxamide and -3-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2002-07-24 EP claimed
EP-0498466-A1 Indazole-3-carboxamide and -3-carboxylic acid derivatives BEECHAM GROUP PLC (GB) 1992-08-12 EP claimed
EP-0200444-A2 Azabicyclononyl-indazole-carboxamide having 5-HT antagonist activity BEECHAM GROUP PLC (GB) 1986-11-05 EP claimed
CN-112778203-B Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2022-02-15 CN disclosed
US-11084853-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-08-10 US disclosed
CN-112778203-A Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine 兰州交通大学 2021-05-11 CN disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 US disclosed
EP-0498466-B1 Indazole-3-carboxamide and -3-carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 2002-07-24 EP disclosed
US-6268498-B1 CYCLIZATION OF 2-(BENZYLIDENEHYDRAZINO)-A-OXOPHENYL-(9-METHYL-9-AZABICYCLO(3. 3. 1)NON-3-YL) CARBOXAMIDE IN DEPROTECTING CONDITION TO PROVIDE GRANISETRON HOFFMANN-LA ROCHE INC. 2001-07-31 US disclosed
EP-0882045-A1 PROCESS FOR THE PREPARATION OF GRANISETRON SMITHKLINE BEECHAM PLC (GB) 1998-12-09 EP disclosed
WO-1997030049-A1 PROCESS FOR THE PREPARATION OF GRANISETRON SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed
US-5034398-A Analgesics BEECHAM GROUP P.L.C. (GB) 1991-07-23 US disclosed
US-4937247-A EMETIC AGENTS, ANALGESICS BEECHAM GROUP P.L.C. (GB) 1990-06-26 US disclosed
US-4886808-A Indazolyl carboxylic acid amides useful for treating migraine clusters headache, trigeminal neuralgia or emesis BEECHAM GROUP P.L.C. (GB) 1989-12-12 US disclosed
EP-0261964-A2 AZABICYCLIC COMPOUNDS AND THEIR USE AS 5-HT3 RECEPTOR ANTAGONISTS BEECHAM GROUP PLC (GB) 1988-03-30 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 (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-11084853-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 NPC1 536/4885RAB9A 3644/4885HTR3A 1124/4885
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 NPC1 622/4885RAB9A 2787/4885HTR3A 61/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 NPC1 622/4885RAB9A 2787/4885HTR3A 61/4885

“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.