SCHEMBL19222891

SCHEMBL19222891

CCS(=O)(=O)N1CCC(Cn2cc(C)c(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.39
▸ CRHR1 P34998 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FPR2 P25090 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ NR1H4 Q96RI1 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
SCHEMBL17458973 0.87 BRD4 (0.38) BRD4LMNANPC1HTTRAB9A
SCHEMBL19170898 0.86 CRHR1 (0.39) BRD4CRHR1LMNANPC1RAB9A
SCHEMBL28170670 0.85 BRD4 (0.36) BRD4LMNANPC1HTTRAB9A
SCHEMBL17458925 0.83 PKM (0.44) BRD4LMNATP53MAPTPOLB
SCHEMBL12440186 0.76 RAB9A (0.46) CRHR1NPC1RAB9AMAPTMEN1
SCHEMBL19170840 0.73 BRD4 (0.41) BRD4CRHR1MAPTMAPK1MEN1
SCHEMBL19222890 0.72 CRHR1 (0.39) CRHR1LMNANPC1HTTRAB9A
SCHEMBL16833039 0.71 GAA (0.41) LMNANPC1HTTRAB9ATP53
SCHEMBL14550285 0.71 L3MBTL1 (0.41) CRHR1LMNANPC1RAB9AMAPT
SCHEMBL19163449 0.71 MCOLN3 (0.38) BRD4LMNANPC1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 — — 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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 BRD4 3594/4885CRHR1 3881/4885LMNA 2540/4885

“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.

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