SCHEMBL3259098

SCHEMBL3259098

C=CC(N)n1ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 11/20 0.43
▸ SLC6A2 P23975 11/20 0.39
▸ CDK4 P11802 4/20 0.38
▸ CCND1 P24385 4/20 0.38
▸ NOTUM Q6P988 1/20 0.34

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
SCHEMBL6100232 0.78 SLC6A4 (0.46) SLC6A4SLC6A2CDK4CCND1NOTUM
SCHEMBL4382022 0.78 SLC6A4 (0.43) SLC6A4SLC6A2CDK4CCND1
SCHEMBL10643066 0.77 SLC6A4 (0.57) SLC6A4SLC6A2
SCHEMBL2976520 0.75 SLC6A4 (0.46) SLC6A4SLC6A2CDK4CCND1NOTUM
SCHEMBL9337141 0.74 KMT2A (0.44) SLC6A4SLC6A2NOTUM
SCHEMBL9696657 0.74 SLC6A4 (0.37) SLC6A4SLC6A2CDK4CCND1
SCHEMBL22449509 0.71 SLC6A2 (0.40) SLC6A4SLC6A2CDK4CCND1
SCHEMBL27575336 0.71 SLC6A2 (0.45) SLC6A4SLC6A2CDK4CCND1NOTUM
SCHEMBL9235062 0.70 SLC6A4 (0.35) SLC6A4SLC6A2CDK4CCND1
SCHEMBL4782553 0.70 CDK4 (0.35) SLC6A4SLC6A2CDK4CCND1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57067559-A — — None — — JP disclosed
EP-1919471-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR MERCK SHARP & DOHME (NL) 2014-01-08 — — EP disclosed
EP-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 — — EP disclosed
US-7763732-B2 7-Chloro-3-({5-[N-(morpholin-1-ylcarboxamido)methyl]aminomethyl}-([1,2,4]-thiadiazol-3-yl))-1-(tetrahydropyran-4-yl)methyl-1H-indole, hydrochloride salt; treatment of pain N.V. ORGANON (NL) 2010-07-27 — — US disclosed
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 — — US disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 — — US disclosed
EP-2125795-A1 INDOLE DERIVATIVES N.V. Organon (NL) 2009-12-02 — — EP disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 — — US disclosed
WO-2008101995-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 — — WO disclosed
EP-1919471-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2008-05-14 — — EP disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 — — US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 — — US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 — — US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 — — US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 — — US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 — — US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 — — EP disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 — — EP disclosed
JP-S5767559-A PRODUCTION OF INDOLE DERIVATIVE TORAY IND INC 1982-04-24 — — JP disclosed
US-4138292-A ENZYMES OR MICROORGANISMS IN A SULFATED POLYSACCHARIDE GEL TANABE SEIYAKU CO., LTD. (JP) 1979-02-06 — — US 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 (1 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-20080207598-A1 INDOLE DERIVATIVES CNR1, CNR2, OPRD1 SLC6A4 632/4885SLC6A2 1918/4885CDK4 1026/4885

“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.

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