SCHEMBL22010897

SCHEMBL22010897

C1=C(c2ccc(Oc3ccncc3)cc2)C[C@@H]2CNC[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.43
CHRNB4 P30926 13/20 0.43
CHRNA3 P32297 13/20 0.43
CHRNA4 P43681 13/20 0.43
CHRNA7 P36544 12/20 0.40
CHRNB3 Q05901 3/20 0.39
CHRNA6 Q15825 3/20 0.39
P2RY14 Q15391 1/20 0.39
BTK Q06187 3/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TNK2 Q07912 1/20 0.32

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
SCHEMBL5937537 0.87 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL5937541 0.87 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL5937544 0.87 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL15596510 0.87 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22010508 0.86 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL5939787 0.85 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL5939804 0.85 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL5939795 0.85 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22010484 0.84 MEN1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22010770 0.81 HRH3 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 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 (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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC CHRNB2 4851/4885CHRNB4 4842/4885CHRNA3 4833/4885

“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.