SCHEMBL427406

SCHEMBL427406

CN1CCC(c2c[nH]c3ccc(N)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 1.00
HTR1B P28222 13/20 1.00
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
THPO P40225 1/20 0.71
APP P05067 1/20 0.63
HTR1F P30939 2/20 0.60
HTR1A P08908 2/20 0.60
MAPT P10636 1/20 0.59
BLM P54132 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NOS1 P29475 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
Hydrochloric Acid SCHEMBL27483631 0.99 HTR1D (0.97) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7485776 0.99 HTR1D (0.97) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Alcohol SCHEMBL7485452 0.92 HTR1D (0.85) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1122547 0.92 HTR1D (0.85) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7022272 0.89 HTR1D (0.81) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL21088266 0.89 HTR1D (0.80) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL7489311 0.85 HTR1D (0.74) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL23010847 0.84 HTR1D (0.72) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL17067768 0.83 HTR1D (0.71) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL27548381 0.83 HTR1B (0.69) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
WO-1999007700-A1 BICYCLIC COMPOUNDS AS LIGANDS FOR 5-HT1 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-02-18 WO disclosed
CN-1184425-A 5-substituted-3- (1,2,3, 6-tetrahydropyridin-4-yl) -and 3- (piperidin-4-yl) -1H-indoles, 5-HT1FAgonists LILLY CO ELI (US) 1998-06-10 CN disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1997000244-A1 PROCESS FOR PARALLEL SYNTHESIS OF A NON-PEPTIDE LIBRARY ELI LILLY AND COMPANY (US) 1997-01-03 WO disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 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 (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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HTR1D 1002/4885HTR1B 414/4885CYP1A2 106/4885

“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.