SCHEMBL2835963

SCHEMBL2835963

CCn1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.50
▸ CTSK P43235 5/20 0.50
▸ ACE P12821 2/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ CTSL P07711 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ PPARA Q07869 5/20 0.45
▸ PPARG P37231 4/20 0.45
▸ NR4A2 P43354 1/20 0.44
▸ TACR1 P25103 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL1711461 1.00 CTSS (0.50) CTSSCTSKACESCN9ACTSL
SCHEMBL31725712 1.00 CTSS (0.50) CTSSCTSKACESCN9ACTSL
SCHEMBL2835961 1.00 CTSS (0.50) CTSSCTSKACESCN9ACTSL
SCHEMBL2839747 0.92 CTSK (0.48) CTSSCTSKACESCN9ACTSL
SCHEMBL2839750 0.92 CTSK (0.48) CTSSCTSKACESCN9ACTSL
SCHEMBL1710955 0.90 TACR1 (0.50) CTSSCTSKSCN9ACTSLHDAC10
SCHEMBL27829195 0.90 TACR1 (0.50) CTSSCTSKSCN9ACTSLHDAC10
SCHEMBL29072434 0.90 ACE (0.47) CTSSCTSKACESCN9ACTSL
SCHEMBL1711331 0.90 ADAM17 (0.51) CTSSCTSKACESCN9AIDO1
SCHEMBL30574994 0.90 ACE (0.47) CTSSCTSKACESCN9ACTSL

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-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-102216260-A Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO 2011-10-12 — — CN 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
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 — — US disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 — — EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US 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 (4 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 CTSS 3940/4885CTSK 4355/4885ACE 1237/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 CTSS 737/4885CTSK 1174/4885ACE 2294/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R CTSS 722/4885CTSK 791/4885ACE 2966/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR CTSS 2322/4885CTSK 4366/4885ACE 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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