SCHEMBL5453963

SCHEMBL5453963

CCn1nc(C)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
GPR119 Q8TDV5 5/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DPP4 P27487 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7606781 0.88 KDM4E (0.49) KDM4EMAPTTHRBGPR119TP53
SCHEMBL18685698 0.84 KDM4E (0.52) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL4235039 0.83 MAPT (0.51) KDM4EMAPTTHRBGPR119TP53
SCHEMBL5451783 0.82 CCR5 (0.54) THRBGPR119GAALMNASMN1; SMN2
SCHEMBL19937645 0.81 MAPT (0.49) KDM4EMAPTTHRBGPR119ALDH1A1
SCHEMBL5445576 0.81 KDM4E (0.49) KDM4EMAPTTHRBGPR119TP53
SCHEMBL18403235 0.80 KDM4E (0.48) KDM4EMAPTTHRBGPR119TP53
SCHEMBL5456416 0.80 CCR5 (0.51) ALDH1A1LMNACNR1
SCHEMBL7605085 0.80 GPR119 (0.47) KDM4EMAPTTHRBGPR119ALDH1A1
SCHEMBL7544743 0.79 CCR5 (0.54)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940459-B Nanocrystalline composite liquid crystal material and preparation method thereof 苏州克里斯图材料科技有限公司 2023-04-11 CN claimed
CN-112940459-A Nanocrystalline composite liquid crystal material and preparation method thereof 苏州克里斯图材料科技有限公司 2021-06-11 CN claimed
CN-105164238-B Lubricating oil composition 出光兴产株式会社 2021-06-29 CN disclosed
CN-112940459-A Nanocrystalline composite liquid crystal material and preparation method thereof 苏州克里斯图材料科技有限公司 2021-06-11 CN disclosed
EP-2980194-B1 LUBRICANT OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2020-04-01 EP disclosed
US-10563148-B2 Lubricant oil composition IDEMITSU KOSAN CO., LTD. (JP) 2020-02-18 US disclosed
US-9410106-B2 Lubricating oil composition IDEMITSU KOSAN CO., LTD. (JP) 2016-08-09 US disclosed
US-20160032214-A1 LUBRICANT OIL COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2016-02-04 US disclosed
EP-2980194-A1 LUBRICANT OIL COMPOSITION Idemitsu Kosan Co., Ltd (JP) 2016-02-03 EP disclosed
US-20150051128-A1 LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2015-02-19 US disclosed
EP-2826847-A1 LUBRICATING OIL COMPOSITION Idemitsu Kosan Co., Ltd (JP) 2015-01-21 EP disclosed
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US disclosed
US-20070042918-A1 Lubricating oil additive and lubricating oil composition IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 US disclosed
EP-1686168-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2006-08-02 EP disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 US disclosed
EP-0553801-B1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS (JP) 1997-04-23 EP disclosed
US-5389708-A Polymerizing polyisocyanate or polyisothiocyanate with polyol or polythiol in presence of thiophosphoric or dithiophosphoric acid ester MITSUI TOATSU CHEMICALS, INC. (JP) 1995-02-14 US disclosed
EP-0553801-A1 Use of sulfur-containing acid phosphoric ester as internal release agent MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 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-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 KDM4E 1083/4885MAPT 4809/4885THRB 1812/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 KDM4E 992/4885MAPT 4857/4885THRB 2123/4885

“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.