SCHEMBL4119191

SCHEMBL4119191

Cc1ccc(C#CC(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
MAPT P10636 4/20 0.54
HPGD P15428 2/20 0.54
NOTUM Q6P988 1/20 0.54
HTT P42858 3/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PLA2G1B P04054 1/20 0.48

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
SCHEMBL4116705 0.89 NOTUM (0.55) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4110501 0.88 RAB9A (0.57) RAB9AALDH1A1NPC1SMN1; SMN2TAS1R3
SCHEMBL4105991 0.86 NPC1 (0.56) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4118435 0.86 TAAR1 (0.62) RAB9AALDH1A1NPC1SMN1; SMN2TAS1R3
SCHEMBL4119022 0.86 KMT2A (0.57) RAB9AALDH1A1NPC1SMN1; SMN2TAS1R3
SCHEMBL4106025 0.86 RAB9A (0.56) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4105538 0.86 ALDH1A1 (0.53) RAB9AALDH1A1NPC1SMN1; SMN2TAS1R3
SCHEMBL4110473 0.83 NAMPT (0.49) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4113675 0.83 GRM5 (0.54) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4105545 0.83 GRM5 (0.54) RAB9AALDH1A1NPC1SMN1; SMN2MAPT

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 6 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 claimed
EP-1968938-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1968938-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP 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 RAB9A 4520/4885ALDH1A1 360/4885NPC1 2295/4885

“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.