SCHEMBL2839747

SCHEMBL2839747

CCCn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.48
▸ CTSS P25774 5/20 0.48
▸ ACE P12821 2/20 0.47
▸ ADAM17 P78536 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ IDO1 P14902 2/20 0.44

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
SCHEMBL2839750 1.00 CTSK (0.48) CTSKCTSSACEADAM17KDM4E
SCHEMBL27847751 0.94 ADAM17 (0.51) CTSKCTSSACEADAM17KDM4E
SCHEMBL1711331 0.94 ADAM17 (0.51) CTSKCTSSACEADAM17KDM4E
SCHEMBL4934992 0.93 CDC25A (0.54) CTSKCTSSACEADAM17CDC25A
SCHEMBL4934999 0.93 CDC25A (0.54) CTSKCTSSACEADAM17CDC25A
SCHEMBL4935345 0.93 CDC25A (0.54) CTSKCTSSACEADAM17CDC25A
SCHEMBL2845331 0.92 CTSS (0.48) CTSKCTSSACEADAM17SCN9A
SCHEMBL2845334 0.92 CTSS (0.48) CTSKCTSSACEADAM17SCN9A
SCHEMBL2835961 0.92 CTSS (0.50) CTSKCTSSACEADAM17SCN9A
SCHEMBL1711461 0.92 CTSS (0.50) CTSKCTSSACEADAM17SCN9A

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 11 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-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
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 — — US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 — — US 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
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 — — EP disclosed
WO-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 — — 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN CTSK 4355/4885CTSS 3940/4885ACE 1237/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR CTSK 4366/4885CTSS 2322/4885ACE 3623/4885

“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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