SCHEMBL2591402

SCHEMBL2591402

OB(O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 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
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
PLD1 Q13393 1/20 0.52
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR6 P50406 1/20 0.50
LTA4H P09960 4/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
HTR5A P47898 1/20 0.46

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 SCHEMBL5518341 0.98 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.82 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL381631 0.81 ALDH1A1 (0.48) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL1745699 0.79 ALDH1A1 (0.52) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL10317320 0.79 ALDH1A1 (0.52) ALDH1A1USP2TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL27043157 0.79 ALDH1A1 (0.52) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL18580512 0.78 HTR7 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL1954079 0.78 ALDH1A1 (0.55) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL102532 0.78 LMNA (0.52) ALDH1A1USP2TSHRHSD17B10KDM4E
SCHEMBL6094312 0.77 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912429-A Quinazoline compound with anti-inflammatory activity or pharmaceutically acceptable salt thereof, pharmaceutical composition and application thereof 安徽医科大学 2025-05-02 CN disclosed
CN-118599220-B Preparation method of high-temperature-resistant and moisture-proof plastic film material 无锡睿斯特包装材料有限公司 2025-02-07 CN disclosed
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-12-26 US disclosed
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
CN-118599220-A Preparation method of high-temperature-resistant and moisture-proof plastic film material 无锡睿斯特包装材料有限公司 2024-09-06 CN disclosed
EP-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9822103-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 WO disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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 (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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B ADRB1 2557/4885HTR3E 2677/4885HTR3B 2700/4885
US-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK ADRB1 3615/4885HTR3E 4635/4885HTR3B 4024/4885
US-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 ADRB1 2268/4885HTR3E 3300/4885HTR3B 3143/4885
US-20240425479-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) DCK, CMPK1, WNK1 ADRB1 2022/4885HTR3E 2875/4885HTR3B 2571/4885

“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.