SCHEMBL396116

SCHEMBL396116

CCCc1ccc(CN)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
CA2 P00918 1/20 0.52
LOXL2 Q9Y4K0 3/20 0.50
TAAR1 Q96RJ0 3/20 0.50
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
PSIP1 O75475 1/20 0.48
HTR2A P28223 1/20 0.48
ABAT P80404 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
MGLL Q99685 1/20 0.43
PLK1 P53350 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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 SCHEMBL17260633 0.97 CA2 (0.50) HRH3CA2LOXL2TAAR1LPL
SCHEMBL921748 0.87 ST14 (0.63) CA2TAAR1
SCHEMBL142480 0.85 LPL (0.62) CA2TAAR1LPLLIPGHTR2A
SCHEMBL394855 0.84 HTR2A (0.61) HRH3CA2LPLLIPGHTR2A
SCHEMBL3068192 0.83 TAAR1 (0.71) CA2LOXL2TAAR1LPLLIPG
Hydroxyamine SCHEMBL17181093 0.82 LPL (0.61) CA2TAAR1LPLLIPGHTR2A
SCHEMBL395434 0.82 HTR2A (0.72) CA2LPLLIPGHTR2AMGLL
Hydrochloric Acid SCHEMBL920409 0.82 HTR2A (0.59) HRH3CA2HTR2A
Water SCHEMBL28941509 0.82 LPL (0.59) CA2TAAR1LPLLIPGHTR2A
SCHEMBL9839848 0.82 LPL (0.59) CA2TAAR1LPLLIPGMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173618-A1 CYCLIC GD (III) COMPLEX, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 国科温州研究院(温州生物材料与工程研究所) 2023-09-21 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
WO-2022150167-A2 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-14 WO disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
WO-2021123394-A1 G PROTEIN-COUPLED RECEPTOR MODULATORS AND A PHARMACEUTICAL COMPOSITION UNIVERSITY OF COPENHAGEN (DK) 2021-06-24 WO disclosed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
EP-3002310-B1 COMPOSITION FOR PREPARING POLYIMIDE-INORGANIC PARTICLE COMPOSITE, POLYIMIDE-INORGANIC PARTICLE COMPOSITE, ARTICLE, AND OPTICAL DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2020-11-25 EP disclosed
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1300425-A2 Catalyst component for addition polymerization, process for producing said catalyst and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-09 EP disclosed
US-20030060579-A1 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-27 US disclosed
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP disclosed
CN-1376049-A Method of lightening keratinous tissue by topical application of oxime compound containing compositions PROCTER & GAMBLE (US) 2002-10-23 CN disclosed
US-20020143124-A1 Homogeneous type solid catalyst component or homogeneous type solid catalyst, process for production thereof and process for producing addition polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-03 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
CN-1201061-A Chemical-ray sensitive polymer composition TORAY CO LTD (JP) 1998-12-09 CN disclosed
US-4792628-A ANTIOXIDANTS, ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-12-20 US 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 (3 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 HRH3 4318/4885CA2 4397/4885LOXL2 2566/4885
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 HRH3 1452/4885CA2 40/4885LOXL2 152/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 HRH3 254/4885CA2 4731/4885LOXL2 2014/4885

“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.