SCHEMBL12436995

SCHEMBL12436995

Cc1ccc(C2CCC(c3ccc(C(C)(C)C)cc3)N2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPT P10636 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD11B1 P28845 2/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 3/20 0.34
TYR P14679 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ATM Q13315 1/20 0.34
GFER P55789 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12232396 0.86 MAPT (0.42) MAPTSLC6A2SLC6A4SLC6A3NPSR1
SCHEMBL4870454 0.78 MAPT (0.39) MAPTNPSR1ATMGFERACHE
SCHEMBL4871362 0.78 MAPT (0.39) MAPTNPSR1ATMGFERACHE
Hydrochloric Acid SCHEMBL4912494 0.76 MAPT (0.38) MAPTNPSR1ATMGFER
SCHEMBL23891619 0.75 MAPT (0.41) TSHRMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL22426569 0.75 CHRNB2 (0.41) TSHRSLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL166690 0.74 TSHR (1.00) TSHRMAPTNPC1RAB9AHSD11B1
SCHEMBL5495871 0.74 TSHR (1.00) TSHRMAPTNPC1RAB9AHSD11B1
SCHEMBL10147111 0.74 HPGD (0.41) MAPTNPC1RAB9ATNKSTNKS2
SCHEMBL22426541 0.74 TSHR (0.42) TSHRMAPTNPC1RAB9ASLC6A2

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 TSHR 4720/4885MAPT 4579/4885NPC1 429/4885

“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.