SCHEMBL22547162

SCHEMBL22547162

CCC(=O)NC[C@@H]1C[C@H](CN)CN1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.38
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MTNR1B P49286 2/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAT P00750 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL20615613 0.84 FUCA1 (0.41) MTNR1ACYP2D6MTNR1B
SCHEMBL21973388 0.84 FUCA1 (0.41) MTNR1ACYP2D6MTNR1B
SCHEMBL22546944 0.81 CYP2D6 (0.33) CYP2D6
SCHEMBL22005539 0.81 MTNR1A (0.40) MTNR1AMEN1KMT2AMTNR1B
SCHEMBL23165447 0.80 MTNR1A (0.32) MTNR1ACYP2D6MTNR1B
SCHEMBL20685675 0.80 MTNR1A (0.32) MTNR1ACYP2D6MTNR1B
SCHEMBL22005538 0.80 CYP2D6 (0.31) CYP2D6
SCHEMBL23165445 0.80 MTNR1A (0.32) MTNR1ACYP2D6MTNR1B
SCHEMBL20685659 0.80 MTNR1A (0.32) MTNR1ACYP2D6MTNR1B
SCHEMBL4761527 0.73 CYP2D6 (0.53) MTNR1AMEN1KMT2ACYP2D6PLG

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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 — — 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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 MTNR1A 2380/4885MEN1 4183/4885KMT2A 4740/4885

“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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