SCHEMBL1121997

SCHEMBL1121997

CN(C)CCc1c[nH]c2ccc(N)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.68
HTR2C P28335 6/20 0.68
HTR2A P28223 4/20 0.68
SLC6A4 P31645 4/20 0.68
MPO P05164 1/20 0.68
HTR1D P28221 8/20 0.67
HTR1B P28222 6/20 0.67
HTR2B P41595 3/20 0.65
HTR7 P34969 3/20 0.65
HTR5A P47898 3/20 0.65
HTR6 P50406 3/20 0.65
HTR3E A5X5Y0 2/20 0.65
HTR3B O95264 2/20 0.65
HTR1E P28566 2/20 0.65
HTR1F P30939 2/20 0.65
HTR3A P46098 2/20 0.65
HTR4 Q13639 2/20 0.65
HTR3D Q70Z44 2/20 0.65
HTR3C Q8WXA8 2/20 0.65
CYP1A2 P05177 1/20 0.65

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
Hydrochloric Acid SCHEMBL3869535 0.98 HTR1A (0.67) HTR1AHTR2CHTR2ASLC6A4MPO
Hydrochloric Acid SCHEMBL7970523 0.98 HTR1A (0.67) HTR1AHTR2CHTR2ASLC6A4MPO
SCHEMBL3379714 0.91 SLC6A4 (0.70) HTR1AHTR2CHTR2ASLC6A4MPO
SCHEMBL1576211 0.88 HTR2A (0.68) HTR1AHTR2CHTR2ASLC6A4MPO
SCHEMBL24243733 0.87 HTR2A (0.71) HTR1AHTR2CHTR2ASLC6A4MPO
Dinitrophenylene SCHEMBL27321903 0.84 HTR1A (0.51) HTR1AHTR2CHTR2ASLC6A4MPO
SCHEMBL29633081 0.83 HTR1A (0.70) HTR1AHTR2CHTR2ASLC6A4MPO
Hydrochloric Acid SCHEMBL10429786 0.83 CYP2C19 (0.58) HTR1AHTR2CHTR2ASLC6A4MPO
SCHEMBL4055413 0.83 HTR1A (0.70) HTR1AHTR2CHTR2ASLC6A4MPO
SCHEMBL8235788 0.82 CYP2C19 (0.63) HTR1AHTR2CHTR2AMPOHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4590682-A1 IMPROVED SYNTHESIS OF PSILOCYBIN DERIVATIVES CARBOGEN AMCIS AG (CH) 2025-07-30 EP disclosed
WO-2024062080-A1 IMPROVED SYNTHESIS OF PSILOCYBIN DERIVATIVES CARBOGEN AMCIS AG (CH) 2024-03-28 WO 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-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 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
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed
EP-0666858-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1?) AGONISTS PFIZER INC. (US) 1995-08-16 EP disclosed
EP-0644187-A1 Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-22 EP disclosed
US-5382592-A Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US 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
WO-1994010171-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT1) AGONISTS PFIZER INC. (US) 1994-05-11 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
US-4803218-A HYPOTENSIVE AGENTS MCNEILAB, INC. (US) 1989-02-07 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 (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 HTR1A 91/4885HTR2C 434/4885HTR2A 156/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR1A 12/4885HTR2C 23/4885HTR2A 18/4885
US-20140051687-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 HTR1A 91/4885HTR2C 434/4885HTR2A 156/4885

“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.