SCHEMBL1122665

SCHEMBL1122665

Cc1ccc(C)n1-c1ccc2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
AHR P35869 3/20 0.46
NR4A2 P43354 2/20 0.46
CYP2A6 P11509 2/20 0.46
ALOX15 P16050 2/20 0.46

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
SCHEMBL16720622 0.85 MEN1 (0.46) AHRCYP2A6ALOX15USP2MAPT
SCHEMBL20110716 0.77 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18188316 0.72 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16720176 0.72 NPC1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30138435 0.71 AHR (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30882 0.71 AHR (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6195484 0.71 KDM4E (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18188405 0.71 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8404071 0.70 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3340549 0.70 LTA4H (0.48) AHRNR4A2CYP2A6ALOX15F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101247853-B Substituted indole compounds having NOS inhibitory activity NEURAXON INC 2014-11-12 CN disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2014-02-20 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-8586620-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2013-11-19 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2011-09-01 US disclosed
US-7951940-B2 neuronal nitric oxide synthase (nNOS) isoform inhibitors; 2-ethyl-1-(1H-indol-5-yl)-isothiourea; neurogenerative disorders, stroke, reperfusion injury, head trauma, migraine headache, neuropathic pain, drug abuse, hyperalgesia NEURAXON, INC. (CA) 2011-05-31 US disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 US disclosed
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
CN-1051313-C 5-arylindole derivatives PFIZER (US) 2000-04-12 CN disclosed
CN-1045294-C Indole derivatives PFIZER (US) 1999-09-29 CN disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed
CN-1094727-A The 5-(hetero) aryl indole derivatives PFIZER (US) 1994-11-09 CN disclosed
CN-1072679-A INDOLE DERIVATIVES PFIZER (US) 1993-06-02 CN 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GABRP 140/4885GABRD 2516/4885GABRA1 1682/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 GABRP 140/4885GABRD 2516/4885GABRA1 1682/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 GABRP 140/4885GABRD 2516/4885GABRA1 1682/4885

“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.