SCHEMBL944258

SCHEMBL944258

CCOC(=O)c1ccc(OCCC2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHEK2 O96017 1/20 0.50
ITGB3 P05106 11/20 0.49
ITGA2B P08514 11/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DHODH Q02127 1/20 0.47

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
Hydrochloric Acid SCHEMBL9196956 0.99 TDP1 (0.50) TDP1L3MBTL1CHEK2ITGB3ITGA2B
Succinic Acid SCHEMBL9213983 0.94 ITGB3 (0.56) TDP1L3MBTL1CHEK2ITGB3ITGA2B
SCHEMBL9219032 0.94 ITGB3 (0.54) TDP1L3MBTL1ITGB3ITGA2BKCNH2
SCHEMBL7317389 0.87 KCNH2 (0.56) TDP1L3MBTL1KCNH2HRH3
SCHEMBL1168439 0.85 TDP1 (0.50) TDP1L3MBTL1CHEK2ITGB3ITGA2B
SCHEMBL944328 0.83 ITGB3 (0.57) TDP1ITGB3ITGA2B
SCHEMBL9215278 0.82 ITGB3 (0.53) ITGB3ITGA2BDHODH
SCHEMBL9473478 0.82 TDP1 (0.46) TDP1L3MBTL1KCNH2HRH3
SCHEMBL9473488 0.82 TDP1 (0.46) TDP1L3MBTL1KCNH2HRH3
SCHEMBL9473475 0.82 TDP1 (0.46) TDP1L3MBTL1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US claimed
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
US-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-01-06 US disclosed
EP-2146952-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-01-27 EP disclosed
EP-2125704-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2009-12-02 EP disclosed
WO-2008101886-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO disclosed
WO-2008101885-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2008-08-28 WO disclosed
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP 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-20110003856-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 TDP1 2110/4885L3MBTL1 3824/4885CHEK2 3911/4885
US-20110003852-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 TDP1 2110/4885L3MBTL1 3824/4885CHEK2 3911/4885

“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.