SCHEMBL23665141

SCHEMBL23665141

CCCc1ccc2ccn(C(C)C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
OXER1 Q8TDS5 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 1/20 0.33
SLC6A2 P23975 1/20 0.33
TRPC5 Q9UL62 1/20 0.32
MET P08581 1/20 0.31
MGLL Q99685 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
SCHEMBL22156293 0.86 HTR7 (0.43) BRD4OXER1MAPK11MAPK14HTR2C
SCHEMBL6740857 0.83 HRH3 (0.42) BRD4OXER1MAPK11MAPK14HTR2A
SCHEMBL6741120 0.83 HRH3 (0.41) HTR2CHTR2AHTR7
SCHEMBL758075 0.81 MAPK11 (0.38) BRD4OXER1MAPK11MAPK14HTR2C
SCHEMBL20946399 0.81 HTR2A (0.37) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL6945213 0.79 LMNA (0.37) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL11977074 0.76 PTGS2 (0.47) OXER1MAPK11MAPK14
SCHEMBL13204941 0.73 HTR2C (0.53) BRD4MAPK11MAPK14HTR2CHTR2A
SCHEMBL17680481 0.72 AKR1C3 (0.41) BRD4HTR2CHTR2AHTR7MET
SCHEMBL15712463 0.72 PRKCI (0.44) BRD4MAPK11MAPK14HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221796-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES, INC. 2021-07-22 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 (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-20210221796-A1 ANTIBACTERIAL COMPOUNDS SPOUT1, MRPL21, NRDC BRD4 520/4885OXER1 2706/4885CNR1 4259/4885

“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.