SCHEMBL12413708

SCHEMBL12413708

CC(C)CC(=O)N1CCC(CN)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL12414842 1.00 SMN1; SMN2 (0.43) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12413719 0.90 ALDH1A1 (0.41) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL12413724 0.90 POLB (0.49) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL24614018 0.85 SMN1; SMN2 (0.44) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL18384892 0.85 SMN1; SMN2 (0.44) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL19287565 0.82 SMN1; SMN2 (0.42) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL10272741 0.81 CHRNB2 (0.43) ALDH1A1EPHX2NCF1TACR3
SCHEMBL12506994 0.81 CHRNB2 (0.43) ALDH1A1EPHX2NCF1TACR3
SCHEMBL13459957 0.79 DPP7 (0.45) L3MBTL1DPP8DPP7NCF1CHRM2
SCHEMBL5744444 0.79 SMN1; SMN2 (0.46) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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 (1 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SMN1; SMN2 1994/4885POLB 2094/4885NPSR1 232/4885

“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.