SCHEMBL3601640

SCHEMBL3601640

CC(C)(C)OC(=O)NCCCn1cc(C(=O)O)c2c1-c1ccncc1CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDPK1 O15530 1/20 0.37
CCNB2 O95067 1/20 0.37
PRKCB P05771 1/20 0.37
CDK1 P06493 1/20 0.37
LYN P07948 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
CCNA1 P78396 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
DRD2 P14416 4/20 0.36
CAMK2D Q13557 2/20 0.36
METAP2 P50579 1/20 0.36
LATS1 O95835 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL3602634 0.92 PDPK1 (0.38) CYP3A4CYP11B1CYP11B2PDPK1CCNB2
SCHEMBL3595337 0.81 ROCK2 (0.39) CYP3A4
SCHEMBL3590777 0.78 PIM1 (0.43) CCNA2CDK2CCNA1TTK
SCHEMBL3600299 0.75 KDM4E (0.34) CCNA2CDK2CCNA1TTK
SCHEMBL3596791 0.74 CCNA2 (0.41) CCNA2CDK2CCNA1METAP2
SCHEMBL6787398 0.74 CYP3A4 (0.38) CYP3A4CYP11B1CYP11B2DRD2LATS1
SCHEMBL6793729 0.74 CYP3A4 (0.38) CYP3A4CYP11B1CYP11B2DRD2LATS1
SCHEMBL6794608 0.74 DRD2 (0.35) CYP3A4CYP11B1CYP11B2PDPK1CCNB2
SCHEMBL6792392 0.74 CYP11B1 (0.39) CYP3A4CYP11B1CYP11B2DRD2METAP2
SCHEMBL6794500 0.74 CYP11B1 (0.38) CYP3A4CYP11B1CYP11B2DRD2LATS1

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
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 CYP3A4 1771/4885CYP11B1 663/4885CYP11B2 899/4885

“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.