SCHEMBL1122175

SCHEMBL1122175

CN1CCCC1Cc1c[nH]c2ccc(N)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.76
HTR1D P28221 5/20 0.76
HTR1A P08908 3/20 0.71
HTR6 P50406 8/20 0.70
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
SLC6A2 P23975 1/20 0.58
OPRM1 P35372 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58

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
SCHEMBL1122542 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL1122165 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL3381424 0.88 SLC6A4 (0.71) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL3381418 0.88 SLC6A4 (0.71) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8208343 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8208346 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8508432 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8790004 0.85 HTR1B (0.80) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8790009 0.85 HTR1B (0.80) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL7853144 0.85 GABRP (0.60) HTR1BHTR1DHTR1AHTR6GABRP

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 47 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
US-5498626-A Acylaminoindole derivatives as 5-ht1 agonists PFIZER INC. (US) 1996-03-12 US disclosed
EP-0635015-A1 ACYLAMINOINDOLE DERIVATIVES AS 5-HT1 AGONISTS. PFIZER (US) 1995-01-25 EP disclosed
CN-1094727-A The 5-(hetero) aryl indole derivatives PFIZER (US) 1994-11-09 CN disclosed
EP-0619805-A1 INDOLE DERIVATIVES PFIZER HOSPITAL PRODUCTS, INC. (US) 1994-10-19 EP disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1993021180-A1 ACYLAMINOINDOLE DERIVATIVES AS 5-HT1 AGONISTS PFIZER INC. (US) 1993-10-28 WO disclosed
WO-1993011106-A1 INDOLE DERIVATIVES PFIZER, INC. (US) 1993-06-10 WO disclosed
CN-1072679-A INDOLE DERIVATIVES PFIZER (US) 1993-06-02 CN disclosed
CN-1062529-A INDOLE DERIVATIVES PFIZER (US) 1992-07-08 CN disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO 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-20110212947-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR1B 221/4885HTR1D 511/4885HTR1A 91/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR1B 221/4885HTR1D 511/4885HTR1A 91/4885

“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.