SCHEMBL3480697

SCHEMBL3480697

CCN(CC)c1ccc(Nc2ccnc(N3CCC(c4nnc(-c5ccccc5)o4)CC3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.41
CDK2 P24941 6/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
ACHE P22303 6/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK8 P45983 1/20 0.36
CDC7 O00311 1/20 0.36
EGFR P00533 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL8144017 0.76 HSP90AA1 (0.49) ACHEROCK2
SCHEMBL3480694 0.75 PSEN1 (0.42) CCNE1CDK2MAPTPOLBEGFR
SCHEMBL3480665 0.74 CDK2 (0.41) CCNE1CDK2MAPTPOLBEGFR
SCHEMBL3480972 0.74 CDK2 (0.41) CCNE1CDK2MAPTPOLBACHE
SCHEMBL8141002 0.74 PSEN1 (0.41) CCNE1CDK2MAPTLMNAPOLB
SCHEMBL3029387 0.73 ROCK2 (0.50) CCNE1CDK2ACHEROCK2
SCHEMBL3480967 0.71 CCR4 (0.43) CCNE1CDK2ACHEEGFRROCK2
SCHEMBL8141252 0.71 CCNE1 (0.47) CCNE1CDK2MAPTLMNAMEN1
SCHEMBL3480701 0.71 CDK2 (0.43) CCNE1CDK2MAPTLMNAPOLB
SCHEMBL3480857 0.70 IGLV6-57 (0.38) CCNE1CDK2POLBMAPK8CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-8252803-B2 Piperidine derivatives MERCK SHARP & DOHME CORP. (US) 2012-08-28 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041680-A1 PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-02-18 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-20100041680-A1 PIPERIDINE DERIVATIVES PSEN1, PSEN2, APBA1 CCNE1 3134/4885CDK2 1996/4885MAPT 11/4885

“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.