SCHEMBL6313788

SCHEMBL6313788

C1CN(CC23CC4CC(CC(C4)C2)C3)CCN1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
HSD11B1 P28845 2/20 0.43
EPHX2 P34913 2/20 0.40
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
P2RX7 Q99572 3/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
BPTF Q12830 1/20 0.35
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31288968 0.80 MEN1 (0.44) KDM4EHSD11B1EPHX2GRIN2DGRIN3B
SCHEMBL24352139 0.75 KDM4E (0.96) KDM4EEPHX2GRIN2DGRIN3BGRIN1
SCHEMBL6313783 0.75 KDM4E (0.58) KDM4EHSD11B1EPHX2GRIN2DGRIN3B
SCHEMBL28223160 0.75 KDM4E (0.58) KDM4EHSD11B1EPHX2GRIN2DGRIN3B
SCHEMBL6313781 0.73 KDM4E (0.56) KDM4EHSD11B1EPHX2GRIN2DGRIN3B
SCHEMBL20672380 0.73 GRIN2D (0.48) HSD11B1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30572303 0.71 KDM4E (0.53) KDM4EHSD11B1EPHX2GRIN2DGRIN3B
SCHEMBL7528268 0.70 MEN1 (0.42) KDM4EHSD11B1EPHX2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL31570944 0.69 MEN1 (0.41) KDM4EHSD11B1EPHX2CYP11B1CYP11B2
SCHEMBL11633407 0.68 HSD11B1 (0.38) KDM4EHSD11B1EPHX2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-113166068-B MmpL3 inhibitors, compositions and uses thereof 上海科技大学 2024-08-16 CN disclosed
US-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US disclosed
US-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US disclosed
CN-110143932-B Piperazinone derivatives, process for producing the same, inhibitor, and method for controlling root-parasitic weeds 南开大学 2022-09-16 CN disclosed
US-20220017492-A1 MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-01-20 US disclosed
CN-111493078-A Use of piperazinone derivatives, an accelerator and a method for controlling root parasitic weeds 南开大学 2020-08-07 CN disclosed
WO-2019154284-A1 PIPERAZINONE DERIVATIVE, PREPARATION METHOD THEREFOR, USE THEREOF, ACCELERATOR AND METHOD FOR CONTROLLING ROOT PARASITIC WEEDS 南开大学 2019-08-15 WO disclosed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed
EP-0475896-A1 Polycyclic compounds CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
US-4001223-A CEREBRAL VASODILATORS IDEMITSU KOSAN CO., LTD. (JA) 1977-01-04 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 (3 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-11655238-B2 MMPL3 inhibitors, compositions and uses thereof TIMP3, AFG3L2, MMP3 KDM4E 4083/4885HSD11B1 4031/4885EPHX2 3452/4885
US-20220017492-A1 MMPL3 INHIBITORS, COMPOSITIONS AND USES THEREOF TIMP3, AFG3L2, MMP3 KDM4E 4083/4885HSD11B1 4031/4885EPHX2 3452/4885
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR KDM4E 2371/4885HSD11B1 3366/4885EPHX2 4346/4885

“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.