SCHEMBL17500352

SCHEMBL17500352

C(=COC=CCc1ccc2ccccc2n1)Cc1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 6/20 0.49
▸ CYSLTR2 Q9NS75 2/20 0.49
▸ PDE10A Q9Y233 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GPBAR1 Q8TDU6 7/20 0.40

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
SCHEMBL8754663 0.80 CYSLTR1 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL5093242 0.80 CYP1A2 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL1115865 0.80 CYP1A2 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL5510083 0.80 CYSLTR1 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL8754671 0.80 CYSLTR1 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL456812 0.80 CYP1A2 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL6535913 0.80 CYSLTR1 (0.46) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL6525088 0.79 CYSLTR1 (0.52) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL27924057 0.77 CYP1A2 (0.44) CYSLTR1CYSLTR2PDE10ACYP1A2GPBAR1
SCHEMBL28009473 0.77 LMNA (0.54) CYSLTR1CYSLTR2CYP1A2GPBAR1

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-20190209530-A1 POWDER ORAL SUSPENSION FORMULATIONS OF ANTIBACTERIAL AGENTS TETARD, INC. 2019-07-11 — — US disclosed
US-20170224664-A1 POWDER ORAL SUSPENSION FORMULATIONS OF ANTIBACTERIAL AGENTS CORTLAND CAPITAL MARKET SERVICES LLC, AS AGENT 2017-08-10 — — US disclosed
EP-3185864-A1 POWDER ORAL SUSPENSION FORMULATIONS OF ANTIBACTERIAL AGENTS Cempra Pharmaceuticals, Inc. (US) 2017-07-05 — — EP disclosed
WO-2016022658-A1 POWDER ORAL SUSPENSION FORMULATIONS OF ANTIBACTERIAL AGENTS CEMPRA PHARMACEUTICALS, INC. (US) 2016-02-11 — — 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 (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-20190209530-A1 POWDER ORAL SUSPENSION FORMULATIONS OF ANTIBACTERIAL AGENTS RPN2, MRPL21, SBDS CYSLTR1 4155/4885CYSLTR2 4368/4885PDE10A 2542/4885
US-20170224664-A1 POWDER ORAL SUSPENSION FORMULATIONS OF ANTIBACTERIAL AGENTS RPN2, MRPL21, SBDS CYSLTR1 4155/4885CYSLTR2 4368/4885PDE10A 2542/4885

“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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