SCHEMBL4466648

SCHEMBL4466648

CC(C)C(=O)N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
CHRNB3 Q05901 1/20 0.53
CHRNA6 Q15825 1/20 0.53
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PDK1 Q15118 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 4/20 0.42
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1911517 1.00 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12947972 0.80 KDM4E (0.47) KDM4ESMN1; SMN2KMT2AMEN1PDK1
SCHEMBL10139548 0.79 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15113696 0.79 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2KMT2AMEN1PDK1
SCHEMBL20921431 0.79 PDK1 (0.43) KDM4ESMN1; SMN2KMT2AMEN1PDK1
SCHEMBL15257900 0.78 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18213836 0.77 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19699503 0.76 GLRA1 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19699484 0.76 GLRA1 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12233362 0.76 GLRA1 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
US-10266525-B2 Processes for preparing 2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-23 US disclosed
US-20180155334-A1 NOVEL PROCESSES GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-07 US disclosed
US-20180155334-A1 NOVEL PROCESSES GLAXOSMITHKLINE IP DEV LTD (GB) 2018-06-07 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 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 (4 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-20180155334-A1 NOVEL PROCESSES CYP4A11, CYP4F11, CYP4F3 CHRNB2 3933/4885CHRNA3 4134/4885CHRNA4 2633/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 CHRNB2 4718/4885CHRNA3 4469/4885CHRNA4 4713/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 CHRNB2 2555/4885CHRNA3 2143/4885CHRNA4 2589/4885
US-10266525-B2 Processes for preparing 2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole IPO4, CYP3A4, CYP4B1 CHRNB2 2472/4885CHRNA3 1569/4885CHRNA4 486/4885

“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.