SCHEMBL20494367

SCHEMBL20494367

O=C(O)NCC1C[C@@H](CO)N(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 4/20 0.45
▸ BTK Q06187 1/20 0.45
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CTSL P07711 1/20 0.39

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
SCHEMBL23326734 1.00 HDAC11 (0.45) HDAC11BTKMTNR1AMTNR1BHDAC3
SCHEMBL20495223 1.00 HDAC11 (0.45) HDAC11BTKMTNR1AMTNR1BHDAC3
SCHEMBL20495207 1.00 HDAC11 (0.45) HDAC11BTKMTNR1AMTNR1BHDAC3
SCHEMBL20494898 0.88 MTNR1A (0.40) HDAC11BTKMTNR1AMTNR1BHDAC3
SCHEMBL20495139 0.88 MTNR1A (0.40) HDAC11BTKMTNR1AMTNR1BHDAC3
SCHEMBL20494690 0.88 MTNR1A (0.40) HDAC11BTKMTNR1AMTNR1BHDAC3
Ammonia Solution, Strong SCHEMBL23327081 0.87 MTNR1A (0.40) HDAC11BTKMTNR1AMTNR1BHDAC3
Ammonia Solution, Strong SCHEMBL23327057 0.87 MTNR1A (0.40) HDAC11BTKMTNR1AMTNR1BHDAC3
SCHEMBL23326764 0.84 MAPT (0.43) HDAC11BTKSIGMAR1MAPT
SCHEMBL28352440 0.84 KMT2A (0.47) BTKMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 — — US disclosed
US-11938114-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-03-26 — — US disclosed
US-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — 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-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO disclosed
WO-2018165611-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO disclosed
WO-2018165614-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — 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 (8 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 HDAC11 2294/4885BTK 2241/4885MTNR1A 4043/4885
US-11938114-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 HDAC11 2222/4885BTK 2619/4885MTNR1A 4030/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HDAC11 2294/4885BTK 2241/4885MTNR1A 4043/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 HDAC11 1650/4885BTK 2394/4885MTNR1A 356/4885
US-20210137881-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HDAC11 2222/4885BTK 2619/4885MTNR1A 4030/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 HDAC11 2294/4885BTK 2241/4885MTNR1A 4043/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 HDAC11 2294/4885BTK 2241/4885MTNR1A 4043/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 HDAC11 1650/4885BTK 2394/4885MTNR1A 356/4885

“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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