SCHEMBL4110501

SCHEMBL4110501

Cc1cc(C)cc(C#CC(=O)N2CCc3ccccc3C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
NOTUM Q6P988 1/20 0.52
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
HPGD P15428 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL4105538 0.90 ALDH1A1 (0.53) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4119191 0.88 RAB9A (0.56) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4116705 0.85 NOTUM (0.55) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4106025 0.85 RAB9A (0.56) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4113675 0.82 GRM5 (0.54) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4105545 0.82 GRM5 (0.54) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4105991 0.80 NPC1 (0.56) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4118435 0.80 TAAR1 (0.62) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2
SCHEMBL4111987 0.80 NPC1 (0.56) RAB9ANPC1NOTUMALDH1A1TAS1R3
SCHEMBL4119022 0.80 KMT2A (0.57) RAB9ANPC1NOTUMALDH1A1SMN1; SMN2

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 4520/4885NPC1 2295/4885NOTUM 323/4885

“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.