SCHEMBL13801286

SCHEMBL13801286

O=CN1CCC(NC(=O)Nc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ EPHX2 P34913 4/20 0.65
▸ EPHX1 P07099 4/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ KMT2A Q03164 2/20 0.64
▸ DRD2 P14416 1/20 0.64
▸ DRD4 P21917 1/20 0.64
▸ DRD3 P35462 1/20 0.64
▸ CTSL P07711 1/20 0.59
▸ CTSB P07858 1/20 0.59
▸ CTSS P25774 1/20 0.59
▸ CTSC P53634 1/20 0.59
▸ CHRNA7 P36544 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ DCUN1D1 Q96GG9 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ CXCR3 P49682 1/20 0.49

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
SCHEMBL23073938 0.87 ALDH1A1 (0.65) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL10825858 0.84 EPHX1 (0.83) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL15263046 0.84 EPHX1 (0.83) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL13651414 0.83 ALDH1A1 (0.72) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL4997641 0.81 EPHX2 (0.73) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL28218814 0.80 EPHX1 (0.90) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL2752734 0.80 RAB9A (0.96) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL13801318 0.79 DRD4 (0.66) EPHX2EPHX1RAB9AKMT2ADRD4
SCHEMBL20088734 0.79 ALDH1A1 (1.00) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A
SCHEMBL5469269 0.79 EPHX1 (0.75) ALDH1A1EPHX2EPHX1SMN1; SMN2RAB9A

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-20240024302-A1 SOLUBLE EPOXIDE HYDROLASE (sEH) INHIBITORS AND DUAL COX/sEH INHIBITORS FOR THE TREATMENT OF ARRHYTHMOGENIC CARDIOMYOPATHY BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2024-01-25 — — US disclosed
WO-2022093712-A1 SOLUBLE EPOXIDE HYDROLASE (sEH) INHIBITORS AND DUAL COX/sEH INHIBITORS FOR THE TREATMENT OF ARRHYTHMOGENIC CARDIOMYOPATHY BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2022-05-05 — — WO disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 — — US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 — — US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 — — US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 — — US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 — — 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 (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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ALDH1A1 2929/4885EPHX2 2553/4885EPHX1 2612/4885
US-20240024302-A1 SOLUBLE EPOXIDE HYDROLASE (sEH) INHIBITORS AND DUAL COX/sEH INHIBITORS FOR THE TREATMENT OF ARRHYTHMOGENIC CARDIOMYOPATHY EPHX1, EPHX2, PTGER1 ALDH1A1 125/4885EPHX2 2/4885EPHX1 1/4885

“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.

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