SCHEMBL2840879

SCHEMBL2840879

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CAPN1 P07384 1/20 0.41
BIRC2 Q13490 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2840876 1.00 CTSL (0.46) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL2838832 0.87 CTSL (0.50) CTSLCTSBCTSSCTSKCA1
SCHEMBL14550701 0.87 CTSL (0.47) CTSLCTSBCTSSCTSKCA1
SCHEMBL2838829 0.87 CTSL (0.50) CTSLCTSBCTSSCTSKCA1
SCHEMBL55833 0.85 CTSL (0.60) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL56907 0.85 CTSL (0.60) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL55832 0.85 CTSL (0.60) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL27488719 0.80 CA14 (0.50) CTSLCTSBCTSSCTSKPSENEN
SCHEMBL1026997 0.79 CTSL (0.62) CTSLCTSBCTSSCTSKPSEN1
SCHEMBL1176795 0.79 CTSL (0.62) CTSLCTSBCTSSCTSKPSEN1

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.