SCHEMBL228180

SCHEMBL228180

CC(C)(C)OC(=O)NCC1CCC1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 2/20 0.49
ACACB O00763 6/20 0.48
ACACA Q13085 3/20 0.46
BTK Q06187 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL10209101 0.96 EPHX1 (0.54) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL60318 0.95 EPHX1 (0.56) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL6647123 0.93 EPHX1 (0.48) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL190838 0.92 KMT2A (0.56) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL4377073 0.92 KMT2A (0.56) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL3942686 0.92 KMT2A (0.56) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL3816616 0.92 KMT2A (0.56) EPHX1KMT2ADRD2ACACBACACA
Bicarbonate SCHEMBL5780143 0.91 EPHX1 (0.54) EPHX1KMT2ADRD2ACACBACACA
SCHEMBL23619653 0.90 KMT2A (0.49) EPHX1KMT2ADRD2ACACBACACA
Acetic Acid SCHEMBL3275951 0.90 EPHX1 (0.52) EPHX1KMT2ADRD2ACACBACACA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024056099-A1 METTL3 INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京华益健康药物研究中心 2024-03-21 WO disclosed
CN-117720533-A MetTL3 inhibitor compound and pharmaceutical composition and application thereof 北京华益健康药物研究中心 2024-03-19 CN disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
CN-116640117-A Triazole LPAR1 antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2023-08-25 CN disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 WO disclosed
WO-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 WO disclosed
WO-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 WO disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 EPHX1 1521/4885KMT2A 371/4885DRD2 2301/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT EPHX1 3475/4885KMT2A 828/4885DRD2 4780/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 EPHX1 2556/4885KMT2A 216/4885DRD2 2692/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 EPHX1 1361/4885KMT2A 455/4885DRD2 1993/4885

“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.