SCHEMBL1455855

SCHEMBL1455855

Clc1cc2c(c(N3CCNCC3)c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.59
HTR6 P50406 10/20 0.48
SIGMAR1 Q99720 2/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
HTR2A P28223 1/20 0.48
DRD3 P35462 1/20 0.48
HTR1A P08908 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR3A P46098 3/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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 SCHEMBL4171025 0.98 ADRB1 (0.57) ADRB1HTR6SIGMAR1DRD2DRD1
SCHEMBL31051992 0.83 HTR1A (0.50) ADRB1DRD2HTR1ACYP3A4CYP2C9
SCHEMBL31051799 0.81 HTR1A (0.52) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL31052148 0.81 HTR1A (0.52) ADRB1DRD2DRD1HTR2ADRD3
SCHEMBL16703491 0.81 ADRB1 (0.59) ADRB1HTR6SIGMAR1DRD2DRD1
SCHEMBL7815929 0.81 ADRB1 (0.59) ADRB1HTR6SIGMAR1DRD2DRD1
SCHEMBL7808439 0.81 ADRB1 (0.59) ADRB1HTR6SIGMAR1DRD2DRD1
SCHEMBL31051842 0.81 ADRB1 (0.59) ADRB1HTR6SIGMAR1DRD2DRD1
SCHEMBL31051835 0.81 ADRB1 (0.59) ADRB1HTR6SIGMAR1DRD2DRD1
SCHEMBL31051921 0.81 ADRB1 (0.59) ADRB1HTR6SIGMAR1DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678188-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS Ohnishi, Arata (JP) 2026-01-14 EP disclosed
WO-2024185842-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING, OR MANAGING BILIRUBIN-INDUCED NEUROLOGICAL DYSFUNCTION, PSYCHIATRIC DISORDERS ASSOCIATED WITH JAUNDICE, OR PSYCHIATRIC DISORDERS CAUSED BY BILIRUBIN UDP-GLUCURONOSYLTRANSFERASE GENE MUTATIONS 国立大学法人島根大学 2024-09-12 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
WO-2015069110-A1 MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS AAPA B.V. (NL) 2015-05-14 WO disclosed
US-7910591-B2 e.g. 3-[4-(4-Pyridine-2-yl-piperazine-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one; serotonin 5-HT7 and alpha 1 receptors modulator; antxiolytic agent, antidepressant; neurodegenerative diseases; schizophrenia, Alzheimer's disease, stroke, dementias; side effect reduction EGIS GYOGYSZERGYAR NYRT. (HU) 2011-03-22 US disclosed
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed
EP-1751105-B1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYOGYSZERGYAR NYRT (HU) 2008-10-29 EP disclosed
US-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles EGIS GYOGYSZERGYAR RT. (HU) 2008-07-03 US disclosed
EP-1751105-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
US-20040242873-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2004-12-02 US disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
EP-1430047-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Egis Gyogyszergyar Rt. (HU) 2004-06-23 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 WO disclosed
WO-2003027097-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2003-04-03 WO disclosed
EP-0633260-B1 2,3-Dihydro-1,4-benzodioxan-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INT RES (NL) 2001-11-07 EP disclosed
US-5462942-A 2,3-dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT 1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-10-31 US disclosed
EP-0633260-A1 2,3-Dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-01-11 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 (4 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E ADRB1 28/4885HTR6 38/4885SIGMAR1 117/4885
US-20040242873-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same CYP3A5, CYP11B1, ADRA1D ADRB1 11/4885HTR6 82/4885SIGMAR1 68/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C ADRB1 28/4885HTR6 20/4885SIGMAR1 195/4885
US-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles TPH2, CNR2, HTR5A ADRB1 86/4885HTR6 32/4885SIGMAR1 334/4885

“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.