SCHEMBL4131356

SCHEMBL4131356

O=C1C(=O)C2(CCCCC2)N=C1c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.37
DBF4 Q9UBU7 4/20 0.37
TSHR P16473 1/20 0.36
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
ROCK1 Q13464 3/20 0.35
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL1840585 0.78 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL1851632 0.76 SLC6A4 (0.37) TSHR
SCHEMBL1839126 0.71 TSHR (0.35) TSHRSMN1; SMN2KMT2A
SCHEMBL1842314 0.69 ALDH1A1 (0.44) CDC7DBF4CCNE1CDK2ROCK1
SCHEMBL19238848 0.60 ESR1 (0.52) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL659326 0.57 ESR1 (0.54) ALDH1A1LMNAMAPT
SCHEMBL11094288 0.56 MAPT (0.40) TSHRPDE5APDE4DPDE3AALDH1A1
SCHEMBL9728 0.55 MAPT (1.00) TSHRALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL20033743 0.55 CYP19A1 (0.41) ALDH1A1HPGDKDM4ELMNA
SCHEMBL7878801 0.55 MAPT (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 US disclosed
US-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same SEIKAGAKU CORPORATION (JP) 2009-06-18 US disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP 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-20090156805-A1 Cycloalkane Carboxamide Derivatives and Production Process of Same CTSK, CTSS, CTSB CDC7 2512/4885DBF4 4526/4885TSHR 2146/4885

“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.