SCHEMBL22984281

SCHEMBL22984281

NCc1ccc2c(c1)OCCC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL2632210 0.89 CHRM2 (0.50) KCNH2CHRM2CHRM1CHRNB2CHRM3
SCHEMBL31630050 0.89 CHRM2 (0.50) KCNH2CHRM2CHRM1CHRNB2CHRM3
SCHEMBL31061933 0.86 TAAR1 (0.53) KCNH2CHRM2CHRM1CHRNB2CHRM3
SCHEMBL18000486 0.86 CTNNB1 (0.46)
Hydrochloric Acid SCHEMBL20562494 0.85 TAAR1 (0.51) KCNH2CHRM2CHRM1CHRNB2CHRM3
Hydrochloric Acid SCHEMBL21879629 0.84 CTNNB1 (0.44)
SCHEMBL31061919 0.83 TAAR1 (0.53) KCNH2CHRM2CHRM1CHRNB2CHRM3
SCHEMBL10157959 0.82 KCNH2 (0.49) KCNH2CHRM2CHRM1CHRNB2CHRM3
SCHEMBL14079587 0.82 KCNH2 (0.46) KCNH2
SCHEMBL31061889 0.82 KCNH2 (0.49) KCNH2CHRM2CHRM1CHRNB2CHRM3

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 5 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
WO-2022109078-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. (US) 2022-05-27 WO 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

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 KCNH2 3689/4885CHRM2 3296/4885CHRM1 2893/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 KCNH2 3689/4885CHRM2 3296/4885CHRM1 2893/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 KCNH2 3689/4885CHRM2 3296/4885CHRM1 2893/4885

“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.