SCHEMBL930509

SCHEMBL930509

Nc1cc2cccc(N3CCNCC3)c2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.48
HTR2A P28223 2/20 0.48
HTR6 P50406 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
NCF1 P14598 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR7 P34969 1/20 0.48
MTOR P42345 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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 SCHEMBL5507767 0.99 KDM4E (0.49) HTR5AHTR2AHTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL2935825 0.97 KDM4E (0.48) HTR5AHTR2AHTR6HTR3EHTR3B
SCHEMBL9228925 0.84 HTR5A (0.52) HTR5AHTR2AHTR6HTR3EHTR3B
SCHEMBL9230867 0.83 ADRA2C (0.50) HTR2AHTR1ANCF1HTR1DHTR1B
SCHEMBL9229724 0.83 HTR6 (0.48) HTR5AHTR2AHTR6HTR3EHTR3B
SCHEMBL9229904 0.83 ADRB1 (0.51) HTR5AHTR2AHTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL9225164 0.83 HTR5A (0.51) HTR5AHTR2AHTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL9229290 0.82 ADRB1 (0.50) HTR5AHTR2AHTR6HTR3EHTR3B
Hydrochloric Acid SCHEMBL9230510 0.82 ADRA2C (0.49) HTR2AHTR1ANCF1HTR1DHTR1B
SCHEMBL27476454 0.82 HTR6 (0.47) HTR5AHTR2AHTR6HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003830-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND SOLVATES THEREOF SOLVAY PHARMACEUTICALS B.V. (NL) 2011-01-06 US claimed
EP-1781292-B1 EXTENDED RELEASE FORMULATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1BENZOPYRAN-2-ONE ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-22 EP claimed
US-7776860-B2 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. (NL) 2010-08-17 US claimed
EP-1732557-B1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF MOVEMENT DISORDERS SOLVAY PHARM BV (NL) 2009-10-28 EP claimed
EP-1732556-B1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND HYDRATES THEREOF SOLVAY PHARM BV (NL) 2008-03-12 EP claimed
EP-1732558-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]- PIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN Solvay Pharmaceuticals B.V. (NL) 2006-12-20 EP claimed
EP-1732557-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF MOVEMENT DISORDERS Solvay Pharmaceuticals B.V. (NL) 2006-12-20 EP claimed
EP-1732556-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND HYDRATES THEREOF Solvay Pharmaceuticals B.V. (NL) 2006-12-20 EP claimed
US-20060013874-A1 Extended release formulation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one SOLVAY PHARMACEUTICALS B.V. 2006-01-19 US claimed
WO-2005092340-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN SOLVAY PHARMACEUTICALS B.V. (NL) 2005-10-06 WO claimed
WO-2005092339-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF MOVEMENT DISORDERS SOLVAY PHARMACEUTICALS B.V. (NL) 2005-10-06 WO claimed
WO-2005092338-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL) -2H-1-BENZOPYRAN-2-ONE AND SALTS AND HYDRATES THEREOF SOLVAY PHARMACEUTICALS B.V. (NL) 2005-10-06 WO claimed
US-20050215567-A1 1-[2H-1-benzopyran-2-one-8-yl]-piperazine derivatives for the treatment of pain SOLVAY PHARMACEUTICALS B.V. 2005-09-29 US claimed
US-20050215551-A1 1-[2H-1-benzopyran-2-one-8-yl]- piperazine derivatives for the treatment of movement disorders SOLVAY PHARMACEUTICALS B.V. 2005-09-29 US claimed
US-20050215566-A1 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. 2005-09-29 US claimed
EP-0969842-A1 PHARMACEUTICAL COMPOSITION R.P. Scherer Limited (GB) 2000-01-12 EP claimed
WO-1998042344-A1 PHARMACEUTICAL COMPOSITION R. P. SCHERER LIMITED (GB) 1998-10-01 WO claimed
US-8173660-B2 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. (NL) 2012-05-08 US disclosed
CN-1105360-A 1-[2H-1-benzopyran-2-one-8yl]-piperazin derivative DUPHAR INT RES (NL) 1995-07-19 CN disclosed
EP-0650964-A1 1 2H-1-benzopyran-2-one-8-yl -piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-05-03 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 (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-20050215551-A1 1-[2H-1-benzopyran-2-one-8-yl]- piperazine derivatives for the treatment of movement disorders HTR1A, HTR1D, HTR1E HTR5A 4/4885HTR2A 7/4885HTR6 16/4885
US-20050215566-A1 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof HTR1D, HTR1A, HTR1E HTR5A 4/4885HTR2A 10/4885HTR6 17/4885
US-20050215567-A1 1-[2H-1-benzopyran-2-one-8-yl]-piperazine derivatives for the treatment of pain HTR1D, HTR1A, HTR5A HTR5A 3/4885HTR2A 5/4885HTR6 21/4885
US-20060013874-A1 Extended release formulation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one SLC18A1, SLC18A2, SLC6A1 HTR5A 17/4885HTR2A 18/4885HTR6 26/4885
US-20110003830-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND SOLVATES THEREOF HTR1D, HTR1A, HTR1E HTR5A 4/4885HTR2A 10/4885HTR6 17/4885

“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.