SCHEMBL866506

SCHEMBL866506

CC(C)(C)C(=O)CCC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
RCE1 Q9Y256 1/20 0.34
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
FAAH O00519 1/20 0.32
SOAT1 P35610 1/20 0.32
ALOX15 P16050 3/20 0.32
BLM P54132 3/20 0.32
PMP22 Q01453 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL7770925 0.86 FAAH (0.35) KMT2AMEN1RCE1TP53CYP1A2
SCHEMBL755487 0.85 KMT2A (0.39) KMT2AMEN1RCE1CYP1A2CYP2C19
SCHEMBL18506464 0.81 ALDH1A1 (0.36) KMT2AMEN1TP53CYP1A2CYP3A4
SCHEMBL23841160 0.79 SPHK2 (0.36) KMT2AMEN1RCE1
Succinamide SCHEMBL36057 0.74
Succinamide SCHEMBL28157588 0.74 LMNA (0.50) KMT2AMEN1TP53CYP1A2CYP3A4
SCHEMBL3127925 0.74 KMT2A (0.35) KMT2AMEN1RCE1TP53CYP1A2
SCHEMBL3628615 0.74 ALDH1A1 (0.59) KMT2ALMNAALDH1A1TDP1
SCHEMBL11253721 0.74 ALDH1A1 (0.35) KMT2AALDH1A1
SCHEMBL409946 0.74 EGLN1 (0.53) KMT2ACYP2C19PMP22LMNAKDM4E

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
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
WO-2019050850-A1 BIGUANIDINE DERIVATIVES OF THERAPEUTIC AGENTS AND METHODS OF PREPARATION AND USE THEREOF PRIMETIME LIFE SCIENCES, LLC (US) 2019-03-14 WO disclosed
US-10030004-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2018-07-24 US disclosed
US-20160326137-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2016-11-10 US disclosed
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 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 (6 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C KMT2A 394/4885MEN1 2143/4885RCE1 3706/4885
US-10030004-B2 Compounds and methods of use TGFB2, TGFB1, HDGF KMT2A 2362/4885MEN1 1785/4885RCE1 1495/4885
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 KMT2A 2822/4885MEN1 552/4885RCE1 499/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KMT2A 4287/4885MEN1 4869/4885RCE1 204/4885
US-20160326137-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF KMT2A 2362/4885MEN1 1785/4885RCE1 1495/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KMT2A 4117/4885MEN1 4860/4885RCE1 278/4885

“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.