SCHEMBL4092499

SCHEMBL4092499

CC1(C)CN(Cc2ccc(F)cc2)C(=O)C(O)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
AR P10275 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 2/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GRIN2B Q13224 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
TP53 P04637 1/20 0.37
AKR1B1 P15121 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
SCHEMBL4332334 0.74 GRM2 (0.58) GRM2ALDH1A1POLBHTTRAB9A
SCHEMBL4332336 0.74 GRM2 (0.58) GRM2ALDH1A1POLBHTTRAB9A
SCHEMBL4096799 0.74 GRM2 (0.58) GRM2ALDH1A1POLBHTTRAB9A
SCHEMBL4088740 0.72 HSD11B1 (0.48) ALDH1A1
SCHEMBL9767014 0.69 GRM2 (0.51) GRM2ALDH1A1POLBHTTRAB9A
SCHEMBL4002061 0.66 ALDH1A1 (0.47) GRM2ALDH1A1POLBHTTRAB9A
SCHEMBL17238332 0.65 MMP1 (0.43) GRM2AROPRM1MMP1MMP13
SCHEMBL15819471 0.65 MMP1 (0.43) GRM2AROPRM1MMP1MMP13
SCHEMBL17238331 0.65 MMP1 (0.43) GRM2AROPRM1MMP1MMP13
SCHEMBL3910514 0.65 ALDH1A1 (0.49) GRM2ALDH1A1POLBHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 GRM2 1761/4885ALDH1A1 785/4885POLB 3961/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 GRM2 2261/4885ALDH1A1 159/4885POLB 4776/4885

“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.