SCHEMBL4659980

SCHEMBL4659980

CC(C)c1cccc(N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.62
HTR7 P34969 6/20 0.57
HTR1A P08908 5/20 0.57
HTR3E A5X5Y0 4/20 0.57
HTR3B O95264 4/20 0.57
HTR3A P46098 4/20 0.57
HTR3D Q70Z44 4/20 0.57
HTR3C Q8WXA8 4/20 0.57
SIGMAR1 Q99720 4/20 0.57
HTR2C P28335 3/20 0.57
THRB P10828 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTR2B P41595 1/20 0.57

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
Piperazine SCHEMBL28861545 0.98 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL16019525 0.87 NOTUM (0.56) ADRB1HTR3ADRD2DRD3ALDH1A1
SCHEMBL6260125 0.87 ADRB1 (0.58) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL3849924 0.86 ADRB1 (0.58) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL27773656 0.85 THRB (0.58) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL8280092 0.84 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL3534359 0.84 NOTUM (0.54) ADRB1DRD2DRD3ALDH1A1MAPT
SCHEMBL14349225 0.84 NOTUM (0.54) ADRB1DRD2DRD3ALDH1A1NOTUM
SCHEMBL8436656 0.83 ADRB1 (0.55) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL8440963 0.83 ADRB1 (0.55) ADRB1HTR7HTR1AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2025-01-23 US disclosed
US-12060349-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2024-08-13 US disclosed
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 EP disclosed
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 US disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 US disclosed
EP-4098654-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2022-12-07 EP disclosed
CN-114533729-A Glucosylceramide synthase inhibitors 建新公司 2022-05-27 CN disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed
CN-1812790-A 3-(1-naphthyl)-2-cyanopropanoic acid derivatives as estrogen receptor WYETH CORP (US) 2006-08-02 CN disclosed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors INCYTE CORPORATION 2005-11-10 US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US disclosed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 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 (11 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 ADRB1 1589/4885HTR7 1017/4885HTR1A 1451/4885
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 ADRB1 292/4885HTR7 3710/4885HTR1A 3682/4885
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 ADRB1 2580/4885HTR7 4848/4885HTR1A 4774/4885
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 ADRB1 1997/4885HTR7 4487/4885HTR1A 3766/4885
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 ADRB1 2441/4885HTR7 2576/4885HTR1A 3731/4885
US-12060349-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GALC ADRB1 4110/4885HTR7 4806/4885HTR1A 4682/4885
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA ADRB1 4481/4885HTR7 4826/4885HTR1A 4709/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 ADRB1 2563/4885HTR7 1626/4885HTR1A 2200/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ADRB1 2114/4885HTR7 4142/4885HTR1A 3787/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 ADRB1 1583/4885HTR7 4641/4885HTR1A 4686/4885
US-20050250789-A1 Hydroxamic acid derivatives as metalloprotease inhibitors MMP9, MMP17, MMP25 ADRB1 4529/4885HTR7 1495/4885HTR1A 2489/4885

“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.