SCHEMBL6798820

SCHEMBL6798820

c1ccc2nc(CCCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.53
▸ CYSLTR1 Q9Y271 1/20 0.53
▸ PDE10A Q9Y233 7/20 0.53
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NCF1 P14598 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 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
SCHEMBL2334595 0.93 CYSLTR2 (0.52) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL2913941 0.91 PDE10A (0.61) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL898777 0.88 PDE10A (0.47) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL10518603 0.88 CYSLTR1 (0.51) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL538491 0.88 GPBAR1 (0.54) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL19386131 0.88 PDE10A (0.47) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL269680 0.88 PDE10A (0.47) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL8904769 0.88 PDE10A (0.48) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL860157 0.86 KCNH2 (0.58) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL9598037 0.86 CYSLTR1 (0.46) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824585-A A kind of method that presence of acidic ionic liquid catalyst prepares 1- aryl -2- quinolyl alcohol cpd 马鞍山市泰博化工科技有限公司 2019-05-31 — — CN disclosed
US-6815547-B2 ANTIMICROBIAL AGENTS EFFECTIVE AGAINST STAPHYLOCOCCUS, STREPTOCOCCUS, ENTEROCOCCUS AVENTIS PHARMA S.A. (FR) 2004-11-09 — — US disclosed
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them AVENTIS PHARMA S.A. 2003-09-11 — — US disclosed
US-6602884-B2 Useful as antibiotics against Staphylococcus, Streptococcus, Enterococcus and Moraxella AVENTIS PHARMA S.A. (FR) 2003-08-05 — — US disclosed
US-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them NOVEXEL (FR) 2002-11-28 — — US disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 — — 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 (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-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 CYSLTR2 3554/4885CYSLTR1 2761/4885PDE10A 1430/4885
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 CYSLTR2 3554/4885CYSLTR1 2761/4885PDE10A 1430/4885

“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.

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