SCHEMBL4520048

SCHEMBL4520048

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2Cc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4510213 0.89 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL4505572 0.87 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL4509389 0.86 CYP2D6 (0.46) MEN1CYP2D6KMT2APOLBALDH1A1
SCHEMBL4517685 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL4520693 0.85 OPRM1 (0.40)
SCHEMBL4526870 0.84 ALPL (0.47)
SCHEMBL4508984 0.80 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL5194701 0.80 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL5196090 0.79 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL4509720 0.79 SMN1; SMN2 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PKM 1539/4885MEN1 4869/4885CYP2D6 359/4885

“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.