SCHEMBL240727

SCHEMBL240727

NCCN1CCN(c2cccc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.55
HTR2A P28223 5/20 0.55
HTR7 P34969 5/20 0.55
DRD2 P14416 4/20 0.55
HTR2C P28335 3/20 0.55
DRD1 P21728 2/20 0.55
HTR3A P46098 2/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
HTR6 P50406 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
NCF1 P14598 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54

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
SCHEMBL5187310 0.91 HTR1A (0.60) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL5366461 0.89 HTR1A (0.62) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL5187168 0.88 HTR1A (0.62) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL9283836 0.84 DRD2 (0.59) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL9287528 0.84 HTR1A (0.55) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL13711982 0.83 DRD3 (0.60) HTR1AHTR2AHTR7DRD2HTR2C
Hydrochloric Acid SCHEMBL9639052 0.83 DRD2 (0.57) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL9643856 0.82 HTR1A (0.74) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL7592384 0.81 HTR1A (0.60) HTR1AHTR2AHTR7DRD2HTR2C
SCHEMBL9229518 0.81 HTR1A (0.60) HTR1AHTR2AHTR7DRD2HTR2C

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196301-A1 USE OF BINDING PARTNERS FOR 5-HT5 RECEPTORS FOR THE TREATMENT OF NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-08-02 US disclosed
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 US disclosed
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 US disclosed
EP-2266570-A1 Use of binding partners for 5-HT5 receptors for treating neurodegenerative and neuropsychiatric disorders Abbott GmbH & Co. KG (DE) 2010-12-29 EP disclosed
CN-101239062-A Use of 5-HT5-ligands in the treatment of neurodegenerative and neuropsychiatric disturbances BASF AG (DE) 2008-08-13 CN disclosed
CN-100370989-C Use of 5-HT5 ligands for the manufacture of a medicament for the treatment of neurodegenerative disorders BASF AG (DE) 2008-02-27 CN disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
EP-1325917-B1 Radiolabelled alkylamino-benzothiazole and -benzoxazole derivatives and their use as D4 ligands JANSSEN PHARMACEUTICA NV (BE) 2007-01-03 EP disclosed
US-20060089344-A1 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-04-27 US disclosed
EP-1633735-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-03-15 EP disclosed
WO-2004099176-A1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-11-18 WO disclosed
US-20040202656-A1 Use of binding partners for 5-HT5 receptors for the treatment of neurodegenerative and neuropsychiatric disorders ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-10-14 US disclosed
EP-0912533-B1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-09-29 EP disclosed
US-6750221-B1 IN VITRO BINDING STUDIES TO SCREEN COMPOUNDS FOR SELECTIVITY OF 5HT-5 OVER 5HT-1A RECEPTORS BASF AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1325917-A1 Radiolabelled alkylamino-benzothiazole and -benzoxazole derivatives and their use as D4 ligands JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-09 EP disclosed
CN-1342080-A Use of 5-HT 5 ligands for the treatment of neurodegenerative and neuropsychiatric disorders BASF AG (DE) 2002-03-27 CN disclosed
US-6224849-B1 Alkylaminobenzothiazole and-benzoxazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2001-05-01 US disclosed
US-6103725-A HIGH AFFINITY TO THE DOPAMINE D4 RECEPTOR; ANTAGONISTS; ANTIPSYCHOTIC AGENTS, E.G. SCHIZOPHRENIA, WITH REDUCED SIDE-EFFECTS; ANTIPSYCHOTIC AGENTS; ANXIOLYTIC AND ANTIEMETIC AGENTS; MOTORIC FUNCTIONS, ADDICTION, SLEEP, FEEDING JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-15 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 (5 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-20060089344-A1 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics CLCN2, CNR2, RCC2 HTR1A 3455/4885HTR2A 2952/4885HTR7 2151/4885
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR1A 2958/4885HTR2A 2607/4885HTR7 1614/4885
US-20040202656-A1 Use of binding partners for 5-HT5 receptors for the treatment of neurodegenerative and neuropsychiatric disorders HTR5A, GRM5, GRIK5 HTR1A 8/4885HTR2A 17/4885HTR7 47/4885
US-20120196301-A1 USE OF BINDING PARTNERS FOR 5-HT5 RECEPTORS FOR THE TREATMENT OF NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS HTR5A, GRM5, GRIK5 HTR1A 8/4885HTR2A 17/4885HTR7 47/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 HTR1A 2196/4885HTR2A 2056/4885HTR7 1016/4885

“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.