SCHEMBL22010756

SCHEMBL22010756

C1=C(c2ccc(Oc3cncs3)cc2)C[C@@H]2CNC[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.36
CHRNB4 P30926 10/20 0.36
CHRNA3 P32297 10/20 0.36
CHRNA4 P43681 10/20 0.36
CHRNA7 P36544 9/20 0.36
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
P2RY14 Q15391 1/20 0.33
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL22010897 0.80 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22010508 0.77 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL5940036 0.76 WNT1 (0.32) P2RY14CCNT1CDK9
SCHEMBL5940045 0.76 WNT1 (0.32) P2RY14CCNT1CDK9
SCHEMBL5940042 0.76 WNT1 (0.32) P2RY14CCNT1CDK9
Hydrochloric Acid SCHEMBL5938664 0.75 WNT1 (0.32) CCNT1CDK9
Hydrochloric Acid SCHEMBL5938681 0.75 WNT1 (0.32) CCNT1CDK9
Hydrochloric Acid SCHEMBL5938674 0.75 WNT1 (0.32) CCNT1CDK9
SCHEMBL22010484 0.75 MEN1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22010770 0.73 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.