SCHEMBL2489261

SCHEMBL2489261

C[C@H]1COC2(CCNCC2)O1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL1768148 1.00 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9739360 0.88
SCHEMBL3308565 0.79 PABPC1 (0.42) HTR1AADRA1DADRA1AADRA1B
SCHEMBL14272690 0.79
SCHEMBL10265045 0.79
SCHEMBL12662822 0.79
SCHEMBL3305308 0.77 PABPC1 (0.44) HTR1AADRA1DADRA1AADRA1B
SCHEMBL12944468 0.77 PABPC1 (0.44) HTR1AADRA1DADRA1AADRA1B
SCHEMBL12944477 0.77 PABPC1 (0.44) HTR1AADRA1DADRA1AADRA1B
SCHEMBL1768196 0.77

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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 US disclosed
US-9708339-B2 1,3-benzothiazinone, sulfoxide, and sulfone compounds with electrophilic substituent UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-07-18 US disclosed
WO-2017049321-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION MILLER MARVIN J (US) 2017-03-23 WO disclosed
EP-2380886-A1 Process for the preparation of 2-aminosubstituted 1,3-benzothiazine-4-ones Makarov Vadim A. (RU) 2011-10-26 EP 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 (3 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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 HTR1A 4086/4885ADRA1D 3751/4885ADRA1A 3061/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 HTR1A 4086/4885ADRA1D 3751/4885ADRA1A 3061/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 HTR1A 4086/4885ADRA1D 3751/4885ADRA1A 3061/4885

“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.