SCHEMBL22010766

SCHEMBL22010766

COc1cc(Oc2ccc(C3=C[C@H]4CNC[C@H]4C3)cc2)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.51
CCNT1 O60563 5/20 0.44
CDK9 P50750 5/20 0.44
CHRNB2 P17787 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNA7 P36544 3/20 0.37
CHRNA4 P43681 3/20 0.37
PGR P06401 1/20 0.36
HTR2A P28223 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 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
SCHEMBL22010770 0.81 HRH3 (0.45) CCNT1CDK9CHRNB2CHRNB4CHRNA3
SCHEMBL22011040 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010488 0.79 TNK2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010768 0.75 CCNT1 (0.43) ARCCNT1CDK9
SCHEMBL22011512 0.75 CCNT1 (0.43) ARCCNT1CDK9
SCHEMBL22010508 0.75 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010897 0.73 CHRNB2 (0.43) CCNT1CDK9CHRNB2CHRNB4CHRNA3
SCHEMBL31060324 0.69 AR (1.00) ARPOLBGAA
SCHEMBL17354615 0.69 AR (1.00) ARPOLBGAA
SCHEMBL22010484 0.69 MEN1 (0.40) CCNT1CDK9CHRNB2CHRNB4CHRNA3

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 AR 1075/4885CCNT1 2969/4885CDK9 2753/4885

“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.