SCHEMBL12258804

SCHEMBL12258804

CC(C)NC1(C(N)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 1/20 0.51
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL12870586 0.93 ALDH1A1 (0.50) ALDH1A1CYP2D6KDM4EKMT2A
SCHEMBL8193648 0.93 ALDH1A1 (0.50) ALDH1A1CYP2D6KDM4EKMT2ASMN1; SMN2
SCHEMBL12869546 0.91 ALDH1A1 (0.49) ALDH1A1CYP2D6KDM4EKMT2ASMN1; SMN2
SCHEMBL7876466 0.86 ALDH1A1 (0.46) ALDH1A1CYP2D6KDM4EKMT2AEPHX1
SCHEMBL5240027 0.86 KDM4E (0.63) ALDH1A1CYP2D6KDM4EKMT2A
SCHEMBL8437435 0.84 ALDH1A1 (0.55) ALDH1A1CYP2D6KDM4EKMT2A
SCHEMBL15461451 0.80 ALDH1A1 (0.41) ALDH1A1CYP2D6KDM4EKMT2A
SCHEMBL21916515 0.80 ALDH1A1 (0.41) ALDH1A1CYP2D6KDM4EKMT2APKM
SCHEMBL4833027 0.80 KDM4E (0.42) ALDH1A1CYP2D6KDM4EKMT2ANPC1
SCHEMBL8253488 0.80 ALDH1A1 (0.51) ALDH1A1CYP2D6KDM4EKMT2A

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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 US disclosed
US-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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 (7 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ALDH1A1 1552/4885CYP2D6 2705/4885KDM4E 1701/4885
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP2D6 4268/4885KDM4E 3751/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP2D6 4268/4885KDM4E 3751/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP2D6 4268/4885KDM4E 3751/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP2D6 4268/4885KDM4E 3751/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885CYP2D6 4268/4885KDM4E 3751/4885
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN ALDH1A1 4035/4885CYP2D6 1741/4885KDM4E 614/4885

“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.