SCHEMBL2424904

SCHEMBL2424904

Cc1cccc(N2CCN(CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.72
DRD4 P21917 6/20 0.72
DRD3 P35462 6/20 0.72
ADRB2 P07550 1/20 0.64
ADRB1 P08588 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
DRD1 P21728 1/20 0.64
DRD5 P21918 1/20 0.64
SLC6A2 P23975 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR1D P28221 1/20 0.64
HTR1B P28222 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR1E P28566 1/20 0.64
SLC6A4 P31645 1/20 0.64
GPR183 P32249 1/20 0.64

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
SCHEMBL23097703 0.86 DRD2 (0.72) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL20389575 0.84 DRD2 (0.66) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL10664987 0.84 DRD2 (1.00) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL14587005 0.84 DRD2 (0.94) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL16559653 0.84 DRD2 (0.62) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL18699533 0.84 DRD2 (0.65) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL18699418 0.83 DRD2 (0.64) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL13532797 0.82 DRD2 (0.87) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL18699461 0.81 DRD2 (0.62) DRD2DRD4DRD3ADRB2ADRB1
SCHEMBL29549434 0.81 DRD2 (1.00) DRD2DRD4DRD3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 US disclosed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 US disclosed
US-9023818-B2 Pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use GLYCON LLC (US) 2015-05-05 US disclosed
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use IMI INTERNATIONAL MEDICAL INNOVATIONS, INC. 2014-02-27 US disclosed
US-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CHRISTIAN SAMUEL T 2011-09-29 US disclosed
US-20060189547-A1 Novel pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use CHRISTIAN SAMUEL T 2006-08-24 US disclosed
US-20030119761-A1 Novel pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use CHRISTIAN SAMUEL T (US) 2003-06-26 US disclosed
US-4914094-A CARBOSTYRIC OR BENZOXAZINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
EP-0226441-A2 Preparation of pharmaceutical compositions for the treatment of hypoxia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 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 (6 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-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 DRD2 110/4885DRD4 51/4885DRD3 93/4885
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 DRD2 110/4885DRD4 51/4885DRD3 93/4885
US-20030119761-A1 Novel pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use CSGALNACT1, DDOST, STT3B DRD2 694/4885DRD4 729/4885DRD3 774/4885
US-20060189547-A1 Novel pharmaceutical agents containing carbohydrate moieties and methods of their preparation and use CSGALNACT1, DDOST, STT3B DRD2 694/4885DRD4 729/4885DRD3 774/4885
US-20110237544-A1 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B DRD2 694/4885DRD4 729/4885DRD3 774/4885
US-20140057869-A9 Novel Pharmaceutical Agents Containing Carbohydrate Moieties And Methods Of Their Preparation And Use CSGALNACT1, DDOST, STT3B DRD2 694/4885DRD4 729/4885DRD3 774/4885

“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.