SCHEMBL12466880

SCHEMBL12466880

NC(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
FAAH O00519 1/20 0.64
MGLL Q99685 1/20 0.62
TACR3 P29371 1/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
MAPK14 Q16539 3/20 0.61
HTR2B P41595 2/20 0.61
GAA P10253 2/20 0.61
LMNA P02545 1/20 0.61
KCNH2 Q12809 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
ALDH1A1 P00352 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59

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
SCHEMBL21763292 0.90 TACR3 (0.71) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL2636547 0.86 MEN1 (0.68) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL28808573 0.85 GAA (0.48) MEN1KMT2AFAAHGAA
SCHEMBL3026559 0.85 CYP2C9 (0.67) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL4576736 0.85 L3MBTL1 (0.69) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL27924584 0.84 ALDH1A1 (0.54) FAAHCYP2C9CYP2C19MAPK14HTR2B
SCHEMBL5806708 0.84 MEN1 (0.55) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL7362106 0.84 ALDH1A1 (0.64) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL7419173 0.83 CYP2C9 (0.65) MEN1KMT2AFAAHMGLLTACR3
SCHEMBL8337998 0.83 MGLL (0.62) MEN1KMT2AFAAHMGLLTACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
CN-109761883-A A kind of 4- carbamate-cinnamamide -4- benzyl piperidine coumpound and its preparation method and application 南阳师范学院 2019-05-17 CN disclosed
CN-109678795-A 4- carbamate-asafoetide amide -1,2,3,4- tetrahydroisoquinolicompounds compounds and its preparation method and application 南阳师范学院 2019-04-26 CN disclosed
US-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US disclosed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO 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-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists F2RL1, F2R, F2RL3 MEN1 1376/4885KMT2A 2337/4885FAAH 725/4885
US-20210139471-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 MEN1 191/4885KMT2A 587/4885FAAH 2234/4885

“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.