SCHEMBL2069713

SCHEMBL2069713

COC(=O)c1ccccc1N1CCCC(CN)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.46
PTPN1 P18031 1/20 0.45
MYC P01106 1/20 0.44
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL2069146 0.89 PTPN1 (0.56) PTPN1MYCCHRNB4CHRNA3CHRNB2
SCHEMBL2069663 0.84 DPP4 (0.51) MYCPIM1PIM3PIM2SMN1; SMN2
SCHEMBL15630880 0.84 DPP4 (0.51) MYCPIM1PIM3PIM2SMN1; SMN2
SCHEMBL15630869 0.82 GAA (0.53) MYCSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2071216 0.82 CHRNB4 (0.48) PTPN1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL23611760 0.81 MYC (0.47) MYCSMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL3892353 0.81 DPP4 (0.43) RPS6KB1PTPN1PIM1PIM3PIM2
SCHEMBL2070104 0.80 NOTUM (0.53) MYCSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL3892420 0.79 MEN1 (0.42) RPS6KB1PTPN1PIM1PIM3PIM2
SCHEMBL28989190 0.79 NPC1 (0.48) MYCSMN1; SMN2NPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
CN-101014595-A Novel cyclic aminobenzoic acid derivative KYORIN SEIYAKU KK (JP) 2007-08-08 CN disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 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 (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-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD RPS6KB1 2273/4885PTPN1 791/4885MYC 1422/4885

“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.