SCHEMBL2069876

SCHEMBL2069876

O=C(N1CCCC(CO)C1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.52
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
LIPE Q05469 1/20 0.41
GRM3 Q14832 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL18667410 0.89 EPHX2 (0.43) EPHX2CHRM2CHRM1CHRM3CYP3A4
SCHEMBL26760225 0.89 EPHX2 (0.43) EPHX2CHRM2CHRM1CHRM3CYP3A4
SCHEMBL4100243 0.89 EPHX2 (0.43) EPHX2CHRM2CHRM1CHRM3CYP3A4
SCHEMBL13755136 0.85 DPP8 (0.46) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL13036992 0.85 DPP8 (0.46) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL12788627 0.83 EPHX2 (0.47) EPHX2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL13748096 0.81 DPP8 (0.38) EPHX2POLBLIPEMEN1KMT2A
SCHEMBL27924792 0.80 LIPE (0.52) EPHX2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1183595 0.78 EPHX2 (0.48) EPHX2NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4577748 0.78 EPHX1 (0.48) EPHX2LIPE

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 7 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
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 EPHX2 3932/4885NPC1 1671/4885RAB9A 3056/4885

“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.