SCHEMBL1783030

SCHEMBL1783030

OCCCCCCCCCCCc1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.45
PDE10A Q9Y233 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYSLTR2 Q9NS75 2/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 2/20 0.44
GPBAR1 Q8TDU6 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1551300 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL11028869 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL28194971 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL9186483 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL1551574 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL12603937 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL12603960 1.00 CYSLTR1 (0.45) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL9598037 0.98 CYSLTR1 (0.46) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
SCHEMBL898777 0.93 PDE10A (0.47) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1
Hydrochloric Acid SCHEMBL29127709 0.91 PDE10A (0.46) CYSLTR1PDE10ACYP1A2CYSLTR2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 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 (1 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-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HCRTR2, HCRTR1, CHRNA2 CYSLTR1 225/4885PDE10A 2019/4885CYP1A2 213/4885

“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.