SCHEMBL177540

SCHEMBL177540

[CH2]CCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.50
CYP1A2 P05177 3/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
CYSLTR1 Q9Y271 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NCF1 P14598 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 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
SCHEMBL269680 0.88 PDE10A (0.47) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL2913941 0.87 PDE10A (0.61) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL9479707 0.86 PDE10A (0.46) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL9480330 0.85 PDE10A (0.45) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL16289622 0.85 PDE10A (0.45) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL16287758 0.85 PDE10A (0.45) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL6798820 0.83 CYSLTR2 (0.53) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL267839 0.83 CYSLTR1 (0.53) PDE10ACYP1A2CYSLTR2CYSLTR1KDM1A
SCHEMBL2334595 0.81 CYSLTR2 (0.52) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4
SCHEMBL296473 0.79 PDE10A (0.50) PDE10ACYP1A2CYSLTR2CYSLTR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415736-C Quinolylpropylpiperidine derivatives and their use as antimicrobial agents AVENTIS PHARMA SA (FR) 2008-09-03 CN claimed
CN-1681801-A Quinolylpropylpiperidine derivatives and their use as antimicrobial agents AVENTIS PHARMA SA (FR) 2005-10-12 CN claimed
CN-1374959-A Piperidine quinolyl propyl derivatives, preparation method and compositions containing same AVENTIS PHARMA SA (FR) 2002-10-16 CN claimed
US-20010036942-A1 N-oxides of heterocyclic esters, amides, thioesters, and ketones GLIAMED, INC. 2001-11-01 US claimed
EP-1082095-A1 N-OXIDE OF HETEROCYCLIC ESTER, AMIDE, THIOESTER OR KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-14 EP claimed
WO-1999062486-A1 N-OXIDE OF HETEROCYCLIC ESTER, AMIDE, THIOESTER, OR KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS INC. (US) 1999-12-09 WO claimed
US-20240239745-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-07-18 US disclosed
EP-4375280-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-05-29 EP disclosed
EP-4371985-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-05-22 EP disclosed
EP-4371984-A1 METHOD FOR SYNTHESIZING BILIRUBIN Bilix Co., Ltd. (KR) 2024-05-22 EP disclosed
CN-117881673-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-12 CN disclosed
CN-117836290-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-05 CN disclosed
CN-117813301-A Synthesis method of bilirubin 株式会社毕丽斯 2024-04-02 CN disclosed
EP-0678514-A1 3,5-Disubstituted tetrahydrofuran-2-ones CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
CN-1069976-A Hexanaphthene and tetrahydropyran derivatives HOFFMANN LA ROCHE (CH) 1993-03-17 CN disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 EP 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-20010036942-A1 N-oxides of heterocyclic esters, amides, thioesters, and ketones FKBP8, FKBP14, FKBP1A PDE10A 4430/4885CYP1A2 2796/4885CYSLTR2 3523/4885
US-20240239745-A1 METHOD FOR SYNTHESIZING BILIRUBIN CYP7A1, UGT1A3, UGT1A1 PDE10A 4726/4885CYP1A2 21/4885CYSLTR2 2519/4885

“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.