SCHEMBL13522013

SCHEMBL13522013

CCc1nc(C2CCCNC2)no1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
CHEK1 O14757 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
BAZ2A Q9UIF9 1/20 0.35

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
Hydrochloric Acid SCHEMBL9054801 0.98 HTR2A (0.40) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL13722653 0.85 CHEK1 (0.36) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL28005361 0.85 HTR2A (0.34) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL15587858 0.84 MAP4K4 (0.41) HTR2A
SCHEMBL18977639 0.82 POLB (0.42)
SCHEMBL19193199 0.82 POLB (0.44)
SCHEMBL10177642 0.80 POLB (0.46)
SCHEMBL2600249 0.80 HTR2A (0.40) HTR2ACHEK1CCNA2CDK2CCNA1
SCHEMBL10120678 0.78 POLB (0.47)
Hydrochloric Acid SCHEMBL4521825 0.78 HTR2A (0.39) HTR2ACHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 HTR2A 130/4885CHEK1 3795/4885CCNA2 2960/4885

“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.