SCHEMBL269680

SCHEMBL269680

[CH2]CCCc1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NCF1 P14598 1/20 0.41
NOS2 P35228 1/20 0.41
BACE1 P56817 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
SCHEMBL9479707 0.94 PDE10A (0.46) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL16289622 0.93 PDE10A (0.45) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL9480330 0.93 PDE10A (0.45) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL16287758 0.93 PDE10A (0.45) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL177540 0.88 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL6798820 0.88 CYSLTR2 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL2334595 0.86 CYSLTR2 (0.52) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL2913941 0.83 PDE10A (0.61) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL8904769 0.81 PDE10A (0.48) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL10518603 0.81 CYSLTR1 (0.51) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US claimed
US-6593302-B2 Antibiotics KOSAN BIOSCIENCES, INC. 2003-07-15 US claimed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
CN-1151746-A Novel erythromycin derivatives, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1997-06-11 CN disclosed
US-5606078-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
EP-0678514-A1 3,5-Disubstituted tetrahydrofuran-2-ones CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5190957-A TREATMENT OF MULTI-DRUG RESISTANT TUMORS WITH QUINOLYL-AND ISOQUINOLYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-02 US disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 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 (2 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 PDE10A 2251/4885CYSLTR2 2017/4885CYSLTR1 2277/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 PDE10A 2449/4885CYSLTR2 1264/4885CYSLTR1 1099/4885

“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.