SCHEMBL13600097

SCHEMBL13600097

Cc1nn(-c2cnccn2)c(C)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL13600098 0.78 CA12 (0.44) CCNA2CDK2LMNACA12CA1
SCHEMBL123248 0.78 ALDH1A1 (0.52) CCNA2CDK2HTTMAPTSMN1; SMN2
SCHEMBL4756479 0.74 ALKBH1 (0.45) CCNA2CDK2MAPTSMN1; SMN2LMNA
SCHEMBL3320644 0.73 HTT (0.44) CCNA2CDK2HTTMAPTSMN1; SMN2
SCHEMBL13600081 0.72 HTT (0.43) HTTMAPTSMN1; SMN2LMNAGAA
SCHEMBL3321050 0.72 HTT (0.47) CCNA2CDK2HTTMAPTSMN1; SMN2
SCHEMBL17670423 0.72 HTT (0.38) HTTMAPTSMN1; SMN2LMNACYP1A2
SCHEMBL13600085 0.71 HTT (0.40) HTTMAPTSMN1; SMN2LMNACYP17A1
SCHEMBL20074672 0.70 SLC34A1 (0.37) HTT
SCHEMBL13741414 0.69 CCNA2 (0.41) CCNA2CDK2MAPTCA12CA1

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-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-7625905-B2 Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103125-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-05-01 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-20080103125-A1 Heterocylic antiviral compounds CCR5, ACKR3, CXCR3 CCNA2 725/4885CDK2 291/4885HTT 2169/4885

“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.