Sugi Predict

Sugi Predict / Compounds / SCHEMBL1704655

SCHEMBL1704655

SCHEMBL1704655

CC(C)(C)OC(=O)N1CCC(Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ MAPT P10636 3/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ EPHX2 P34913 2/20 0.55
▸ POLB P06746 1/20 0.53
▸ PHGDH O43175 2/20 0.52
▸ MLNR O43193 2/20 0.52
▸ STS P08842 1/20 0.51
▸ TGFBR1 P36897 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ IDH1 O75874 1/20 0.50
▸ IDH2 P48735 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ USP2 O75604 1/20 0.49

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
SCHEMBL30027494 0.93 EPHX2 (0.53) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL21958729 0.93 EPHX2 (0.53) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL21856300 0.93 EPHX2 (0.53) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL22587834 0.91 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL24781306 0.87 KMT2A (0.59) MAPTRAB9AEPHX2PHGDH
SCHEMBL17927228 0.87 KMT2A (0.59) MAPTRAB9AEPHX2PHGDH
SCHEMBL14072821 0.87 EPHX2 (0.75) MAPTHTTEPHX2
SCHEMBL30028550 0.87 KMT2A (0.59) MAPTRAB9AEPHX2PHGDH
SCHEMBL377914 0.86 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1HTTNPC1
SCHEMBL1704151 0.86 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1HTTNPC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 — — US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 — — EP disclosed
CN-104725356-B Nitrogen heterocyclic derivatives and application thereof in medicine 广东东阳光药业有限公司 2017-02-22 — — CN disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 — — US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 — — US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 — — EP disclosed
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 — — US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 — — US disclosed
EP-2508526-A1 Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators Ares Trading SA (CH) 2012-10-10 — — EP disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 — — WO disclosed
WO-2012130915-A1 SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS ARES TRADING S.A. (CH) 2012-10-04 — — WO disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 — — EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 — — EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 — — US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 — — WO disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 — — US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 — — EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 — — 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 (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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO ALDH1A1 864/4885MAPT 1648/4885MAPK1 2766/4885
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 ALDH1A1 1817/4885MAPT 4277/4885MAPK1 1850/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 ALDH1A1 1802/4885MAPT 4143/4885MAPK1 1649/4885
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 ALDH1A1 1615/4885MAPT 911/4885MAPK1 1859/4885

“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.