Sugi Predict

Sugi Predict / Compounds / SCHEMBL4075268

SCHEMBL4075268

SCHEMBL4075268

N#Cc1cc(N2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 4/20 0.73
▸ HTR3E A5X5Y0 1/20 0.56
▸ HTR3B O95264 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTR1D P28221 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HTR3A P46098 1/20 0.56
▸ HTR3D Q70Z44 1/20 0.56
▸ HTR3C Q8WXA8 1/20 0.56
▸ SIGMAR1 Q99720 1/20 0.56
▸ MAPT P10636 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ DRD2 P14416 5/20 0.54
▸ DRD3 P35462 5/20 0.54
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CTSS P25774 1/20 0.41

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
SCHEMBL30890970 1.00 ADRB1 (0.73) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL1914919 0.85 ADRB1 (1.00) ADRB1HTR3EHTR3BALDH1A1HTR1D
Hydrochloric Acid SCHEMBL30955834 0.83 ADRB1 (0.96) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL3530448 0.83 ADRB1 (0.49) ADRB1ALDH1A1MAPTDRD2DRD3
SCHEMBL3525504 0.83 DRD2 (0.51) ADRB1ALDH1A1DRD2DRD3SMN1; SMN2
SCHEMBL2925802 0.79 ADRB1 (0.80) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL18825904 0.79 DRD2 (0.58) ADRB1HTR3EHTR3BALDH1A1HTR3A
SCHEMBL10104274 0.78 ADRB1 (0.77) ADRB1HTR3EHTR3BALDH1A1HTR1D
SCHEMBL5340202 0.78 ADRB1 (0.77) ADRB1HTR3EHTR3BALDH1A1HTR1D
Hydrochloric Acid SCHEMBL18245017 0.78 ADRB1 (0.77) ADRB1HTR3EHTR3BALDH1A1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 — — CN disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 — — CN disclosed
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 — — EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 — — US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 — — US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 — — US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 — — US disclosed
EP-2906221-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF Southern Research Institute (US) 2015-08-19 — — EP disclosed
WO-2014059265-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2014-04-17 — — WO disclosed
EP-1438302-B1 NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2012-05-30 — — EP disclosed
US-7473692-B2 Sulfonamide derivatives as D3-receptor ligands RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-01-06 — — US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 — — US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 — — EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 — — EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 — — WO disclosed
US-20050107397-A1 Sulfonamide derivatives as d3-receptor agonists RICHTER GEDEON VEGYESZETI GYAR RT. 2005-05-19 — — US disclosed
EP-1438302-A1 NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR AGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-07-21 — — EP disclosed
WO-2003029233-A1 NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR AGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 — — WO 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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A ADRB1 123/4885HTR3E 51/4885HTR3B 25/4885
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR ADRB1 29/4885HTR3E 36/4885HTR3B 14/4885
US-20050107397-A1 Sulfonamide derivatives as d3-receptor agonists SLC6A3, DRD3, GPR3 ADRB1 80/4885HTR3E 22/4885HTR3B 29/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R ADRB1 254/4885HTR3E 161/4885HTR3B 67/4885

“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.