SCHEMBL2334595

SCHEMBL2334595

c1ccc2nc(CCCCCCCCCCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
PDE10A Q9Y233 5/20 0.51
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
KCNH2 Q12809 1/20 0.45
NCF1 P14598 1/20 0.45
NOS2 P35228 1/20 0.45
BACE1 P56817 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL6798820 0.93 CYSLTR2 (0.53) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL2514450 0.91 KCNH2 (0.61) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL6115301 0.91 KCNH2 (0.61) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL6114801 0.91 KCNH2 (0.61) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL6114960 0.91 KCNH2 (0.61) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL16289622 0.91 PDE10A (0.45) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL1551574 0.91 CYSLTR1 (0.45) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL6115276 0.91 KCNH2 (0.61) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL9480330 0.91 PDE10A (0.45) CYSLTR2CYSLTR1PDE10ACYP1A2CYP3A4
SCHEMBL11693824 0.91 PDE10A (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity WASHINGTON UNIVERSITY (US) 2025-03-11 US disclosed
US-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2023-08-31 US disclosed
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2020-09-10 US disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 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 (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-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP CYSLTR2 3151/4885CYSLTR1 2453/4885PDE10A 3587/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP CYSLTR2 3151/4885CYSLTR1 2453/4885PDE10A 3587/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP CYSLTR2 3151/4885CYSLTR1 2453/4885PDE10A 3587/4885

“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.