SCHEMBL3741633

SCHEMBL3741633

C[C@@H](NCc1ccc(C#Cc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CASR P41180 3/20 0.50
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
SMPD1 P17405 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 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
SCHEMBL14469578 0.88 SMN1; SMN2 (0.82) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3742938 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3742943 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3738864 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3729411 0.86 CASR (0.54) SMN1; SMN2MEN1KMT2ACASRLMNA
SCHEMBL3745182 0.85 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3745177 0.85 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL14093086 0.84 SIGMAR1 (0.49) SMN1; SMN2LMNAACACBPOLBSIGMAR1
SCHEMBL3731676 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL3731679 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ACASRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R SMN1; SMN2 4419/4885MEN1 202/4885KMT2A 4121/4885

“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.