SCHEMBL5280798

SCHEMBL5280798

Nc1ccccc1C(=O)CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 1/20 0.41
IDO1 P14902 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL15590810 0.81 NPC1 (0.53) EPHX2NPC1RAB9AMEN1LMNA
SCHEMBL5259572 0.76 NPC1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28683392 0.76 EPHX2 (0.44) EPHX2NPC1RAB9AMEN1LMNA
SCHEMBL11121963 0.76 ALDH1A1 (0.55) NPC1RAB9AMEN1TP53KMT2A
SCHEMBL1278317 0.75 EPHX2 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL7094216 0.75 EPHX2 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL28595923 0.75 EPHX2 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL2438485 0.75 EPHX2 (0.57) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL26085825 0.75 PARP1 (0.42) KDM4EALDH1A1IDO1GAAMAPT
SCHEMBL3908300 0.74 HDAC3 (0.54) NPC1RAB9ALMNAHTTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO 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 (2 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 EPHX2 2805/4885NPC1 1943/4885RAB9A 765/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 EPHX2 2805/4885NPC1 1943/4885RAB9A 765/4885

“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.