SCHEMBL8240452

SCHEMBL8240452

Cc1noc2c1CN(C(=O)c1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
GRM5 P41594 4/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTGDR2 Q9Y5Y4 4/20 0.46
MTHFD2 P13995 3/20 0.45
CYP2C9 P11712 1/20 0.44
HSP90AA1 P07900 1/20 0.43
DRD4 P21917 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8233741 0.84 KCNK3 (0.47) GRM5LMNANPC1RAB9APTGDR2
SCHEMBL23387867 0.82 SHMT2 (0.42) TSHRHPGDLMNANPC1RAB9A
SCHEMBL4112315 0.79 AR (0.46) TSHRGRM5NPC1RAB9AHSP90AA1
SCHEMBL17232774 0.79 SHMT2 (0.54) TSHRHPGDLMNANPC1RAB9A
SCHEMBL4259746 0.73 LMNA (0.50) TSHRHPGDLMNANPC1RAB9A
SCHEMBL4265115 0.73 NPC1 (0.47) TSHRHPGDLMNANPC1RAB9A
SCHEMBL14591322 0.72 PTGDR2 (0.58) HPGDLMNAPTGDR2MTHFD2CYP2C9
SCHEMBL16217172 0.72 ESR2 (0.43) HSP90AA1
SCHEMBL11090704 0.72 PTGS1 (0.50) GRM5HPGDPTGDR2MTHFD2CYP2C9
SCHEMBL5527334 0.72 HPGD (0.46) TSHRHPGDLMNANPC1PTGDR2

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-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US disclosed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS PCCA, PPARA, PTGES TSHR 3169/4885GRM5 866/4885HPGD 64/4885

“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.