SCHEMBL2838832

SCHEMBL2838832

CC(C)CC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CAPN1 P07384 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
MAPT P10636 1/20 0.43
FOLH1 Q04609 6/20 0.43
LAP3 P28838 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
REN P00797 1/20 0.39

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
SCHEMBL2838829 1.00 CTSL (0.50) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL14550701 0.88 CTSL (0.47) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL2840879 0.87 CTSL (0.46) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL13744217 0.87 CTSL (0.49) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL2840876 0.87 CTSL (0.46) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7280005 0.85 TGFBR1 (0.44) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL66243 0.84 CTSL (0.66) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL17560 0.84 CTSL (0.66) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL17559 0.84 CTSL (0.66) CTSLCTSBCTSSCTSKALDH1A1
Water SCHEMBL645995 0.83 CTSS (0.68) CTSLCTSBCTSSCTSKALDH1A1

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
EP-2241564-B1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARM CO LTD (JP) 2014-04-30 EP disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
CN-101939313-A 3,8-diamino tetrahydroquinoline derivative ZERIA PHARM CO LTD 2011-01-05 CN disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN CTSL 2793/4885CTSB 3437/4885CTSS 3940/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR CTSL 3537/4885CTSB 3750/4885CTSS 2322/4885

“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.