SCHEMBL2545151

SCHEMBL2545151

c1coc2c(N3CCNCC3)ccc-2c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
HTR7 P34969 3/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 1/20 0.47
HTR5A P47898 1/20 0.47
ADRB1 P08588 2/20 0.43
HTR2B P41595 1/20 0.42

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
SCHEMBL9119766 0.78 ALDH1A1 (0.37) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL9121582 0.73 HTR7 (0.47) HTR6HTR7HTR1AHTR2AHTR2B
SCHEMBL9119974 0.73 ADRB1 (0.44) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL9119858 0.72 HTR7 (0.51) HTR7HTR1AADRB1
SCHEMBL9119904 0.71 HTR6 (0.46) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL9119128 0.71 HTR1A (0.43) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL9119205 0.71 ADRB1 (0.49) HTR6HTR7HTR1AHTR2AHTR5A
SCHEMBL5029237 0.71 ADRB1 (0.47) ADRB1
SCHEMBL2876202 0.70 ADRB1 (0.52) HTR6HTR7HTR1AHTR5AADRB1
SCHEMBL2934400 0.69 KCNH2 (0.40) HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189612-B1 NEW PHARMACEUTICAL COMPOSITIONS HAVING A PSYCHOTROPIC ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-11-04 EP claimed
EP-2563790-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-09-14 EP disclosed
US-9309255-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO., LTD 2015-03-26 US disclosed
US-8921551-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-12-30 US disclosed
EP-2563791-B1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2014-12-24 EP disclosed
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-09-11 US disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
EP-2563791-A1 A PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-03-06 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed
CN-1049654-C Piperazine derivatives DAIICHI SEIYAKU CO (JP) 2000-02-23 CN disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5424313-A Bibyclic heteroacrylpiperazine derivatives having psychotropic activity, and pharmaceutical compositions containing these derivatives DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-06-13 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed
US-4833142-A Blood-pressure lowering 4-bicyclic-1-piperazinyl-alkyl amides DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-05-23 US disclosed
EP-0138280-B1 BLOOD-PRESSURE LOWERING PIPERAZINE DERIVATIVES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-06-08 EP disclosed
EP-0138280-A2 Blood-pressure lowering piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1985-04-24 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 (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-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 HTR6 4122/4885HTR7 3926/4885HTR1A 4433/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 HTR6 4469/4885HTR7 4466/4885HTR1A 4680/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 HTR6 4372/4885HTR7 4314/4885HTR1A 4599/4885

“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.