SCHEMBL13600646

SCHEMBL13600646

CC(C)CCCCN1CCC(=O)N(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 4/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LSS P48449 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13178389 0.81 GNAI3 (0.52) PIK3CDBRD4BRD2PKMPOLB
SCHEMBL26375600 0.80 LMNA (0.43) SMN1; SMN2TP53
SCHEMBL13607427 0.79 DRD2 (0.47) PIK3CDBRD4BRD2PKMNPC1
SCHEMBL25664018 0.79 PIK3CD (0.70) PIK3CDBRD4BRD2NPC1RAB9A
SCHEMBL27057345 0.78 GBA1 (0.43) SMN1; SMN2TP53
SCHEMBL1810789 0.78 HRH3 (0.46) MAOBSMN1; SMN2TP53
SCHEMBL6557871 0.76 GRIA1 (0.36) PIK3CDSMN1; SMN2L3MBTL1
SCHEMBL13600604 0.75 BRD4 (0.39) PIK3CDBRD4BRD2PKMNPC1
SCHEMBL25125955 0.74 GNAI3 (0.57) SMN1; SMN2TP53
SCHEMBL13600636 0.74 TOP2A (0.34) PKMMAOBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080287414-A1 Mitotic Kinesin Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287414-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B PIK3CD 610/4885BRD4 707/4885BRD2 1639/4885

“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.