SCHEMBL4272032

SCHEMBL4272032

Cc1ccc(C(c2ccccc2)N2CCNCC2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ CACNA2D1 P54289 4/20 0.59
▸ CACNA1B Q00975 4/20 0.59
▸ CACNB1 Q02641 4/20 0.59
▸ CACNA1C Q13936 2/20 0.59
▸ CACNA1G O43497 1/20 0.59
▸ OPRD1 P41143 12/20 0.50
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ OPRL1 P41146 1/20 0.45

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
SCHEMBL1742164 0.82 MEN1 (0.79) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL219432 0.78 MEN1 (1.00) MEN1KMT2AOPRD1SLC6A2SLC6A4
SCHEMBL2794662 0.78 MEN1 (1.00) MEN1KMT2AOPRD1SLC6A2SLC6A4
Fluoride SCHEMBL27959930 0.76 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
SCHEMBL27485345 0.76 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11456225 0.76 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Piperazine SCHEMBL28229145 0.76 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7006476 0.76 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
SCHEMBL8963506 0.75 MEN1 (0.62) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL8963664 0.75 MEN1 (0.56) MEN1KMT2AOPRD1SLC6A2SLC6A4

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-20090286806-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-11-19 — — US disclosed
US-20090286806-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-11-19 — — US disclosed
US-20090286806-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-11-19 — — US disclosed
EP-2007759-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-12-31 — — EP disclosed
WO-2007118323-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-10-25 — — WO disclosed
WO-2007118323-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-10-25 — — 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 (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-20090286806-A1 ISOXAZOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1G, CACNA1S MEN1 3151/4885KMT2A 4198/4885CACNA2D1 29/4885

“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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