SCHEMBL13997180

SCHEMBL13997180

FCc1ccc(C(c2ccccc2)N2CCNCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ OPRD1 P41143 14/20 0.64
▸ CYP2D6 P10635 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ OPRM1 P35372 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ OPRK1 P41145 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
SCHEMBL219432 0.85 MEN1 (1.00) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL2794662 0.85 MEN1 (1.00) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL27984478 0.84 MEN1 (0.72) MEN1KMT2AOPRD1CYP2D6CYP19A1
Fluoride SCHEMBL27959930 0.83 MEN1 (0.96) MEN1KMT2AOPRD1CYP2D6CYP19A1
Piperazine SCHEMBL28229145 0.83 MEN1 (0.96) MEN1KMT2AOPRD1CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL7006476 0.83 MEN1 (0.96) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL27485345 0.83 MEN1 (0.96) MEN1KMT2AOPRD1CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL11456225 0.83 MEN1 (0.96) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL1138320 0.82 MEN1 (0.79) MEN1KMT2AOPRD1CYP2D6CYP19A1
SCHEMBL1138318 0.82 MEN1 (0.79) MEN1KMT2AOPRD1CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 — — 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 (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-20080306087-A1 Therapeutic Agents NLN, BDNF, GAP43 MEN1 2783/4885KMT2A 3556/4885OPRD1 138/4885

“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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