SCHEMBL20685659

SCHEMBL20685659

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ F10 P00742 2/20 0.30
▸ PRSS1 P07477 2/20 0.30
▸ F2 P00734 2/20 0.30
▸ MASP2 O00187 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
SCHEMBL23165445 1.00 MTNR1A (0.32) MTNR1AMTNR1BCYP2D6DPP4PREP
SCHEMBL20685675 1.00 MTNR1A (0.32) MTNR1AMTNR1BCYP2D6DPP4PREP
SCHEMBL23165447 1.00 MTNR1A (0.32) MTNR1AMTNR1BCYP2D6DPP4PREP
SCHEMBL23346519 0.88 MTNR1A (0.32) MTNR1AMTNR1BCYP2D6DPP4PREP
SCHEMBL23346565 0.86 MTNR1A (0.32) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL22162695 0.85 SMN1; SMN2 (0.31) —
SCHEMBL20615613 0.83 FUCA1 (0.41) MTNR1AMTNR1BCYP2D6
SCHEMBL21973388 0.83 FUCA1 (0.41) MTNR1AMTNR1BCYP2D6
SCHEMBL20685673 0.81 MTNR1A (0.33) MTNR1AMTNR1BDPP4PREPFAP
SCHEMBL22547162 0.80 MTNR1A (0.38) MTNR1AMTNR1BCYP2D6

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-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-05-13 — — US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 — — US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 — — US disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 — — 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 (7 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MTNR1A 2287/4885MTNR1B 2010/4885CYP2D6 1059/4885
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 MTNR1A 2380/4885MTNR1B 2058/4885CYP2D6 1458/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MTNR1A 356/4885MTNR1B 343/4885CYP2D6 59/4885
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MTNR1A 4030/4885MTNR1B 3864/4885CYP2D6 235/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MTNR1A 2287/4885MTNR1B 2010/4885CYP2D6 1059/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MTNR1A 4043/4885MTNR1B 3843/4885CYP2D6 214/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 MTNR1A 4043/4885MTNR1B 3843/4885CYP2D6 214/4885

“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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