SCHEMBL13618211

SCHEMBL13618211

CC(=O)c1ccn(C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
KCNJ1 P48048 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17489077 0.84 KDM4E (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2797118 0.82 LMNA (0.36) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL25007588 0.79 NPC1 (0.44) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL12988500 0.78 P2RX7 (0.41) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL21166116 0.74 CNR1 (0.33) ALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL2629340 0.72
SCHEMBL24802088 0.72 GAA (0.43) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL20462591 0.72 CYP4F2 (0.40) ALDH1A1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL17454448 0.72 ALDH1A1 (0.38) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL18158130 0.71 SCN9A (0.34) KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 US disclosed
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-9856244-B2 Dihydropyridinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-02 US disclosed
US-20170267666-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO 2017-09-21 US disclosed
US-20170267666-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO 2017-09-21 US disclosed
US-9701672-B2 Dihydropyridinone MGAT2 inhibitors for use in the treatment of metabolic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-11 US disclosed
US-9701672-B2 Dihydropyridinone MGAT2 inhibitors for use in the treatment of metabolic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-11 US disclosed
US-20170015653-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2017-01-19 US disclosed
US-20170015653-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2017-01-19 US disclosed
EP-3114121-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS Bristol-Myers Squibb Company (US) 2017-01-11 EP disclosed
WO-2015134701-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-11 WO disclosed
WO-2015134701-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-11 WO disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
US-20120308588-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
US-20090280084-A1 NUCLEOSIDE DERIVATIVES FOR TREATMENT OF CALICIVIRIDAE INFECTIONS, INCLUDING NOROVIRUS INFECTIONS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2009-11-12 US disclosed
US-7365057-B2 Treating hepatitis C virus infections; antivirals have low toxicity to the host; inhibit Flaviviridae polymerase IDENIX PHARMACEUTICALS, INC. (US) 2008-04-29 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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ALDH1A1 374/4885KMT2A 1779/4885CYP4F2 292/4885
US-20090280084-A1 NUCLEOSIDE DERIVATIVES FOR TREATMENT OF CALICIVIRIDAE INFECTIONS, INCLUDING NOROVIRUS INFECTIONS PNP, NUDT1, RNMT ALDH1A1 3010/4885KMT2A 4191/4885CYP4F2 2527/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885KMT2A 1471/4885CYP4F2 1283/4885
US-20170015653-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC DISORDERS DGAT2, MGAT2, DGAT1 ALDH1A1 611/4885KMT2A 300/4885CYP4F2 450/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885KMT2A 1471/4885CYP4F2 1283/4885
US-20120308588-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 2714/4885KMT2A 2207/4885CYP4F2 3814/4885
US-20170267666-A1 DIHYDROPYRIDINONE MGAT2 INHIBITORS DGAT2, DGAT1, MGAT2 ALDH1A1 372/4885KMT2A 224/4885CYP4F2 385/4885

“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.