SCHEMBL3737539

SCHEMBL3737539

C[C@@H](NCc1ccccc1C#CC(C)(C)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 3/20 0.40
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
APAF1 O14727 1/20 0.39
CASR P41180 3/20 0.39
CYP3A4 P08684 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
SMPD1 P17405 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL3737541 1.00 MEN1 (0.43) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3733659 0.78 HTT (0.47) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3733662 0.78 HTT (0.47) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3732886 0.77 LMNA (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3732883 0.77 LMNA (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL13077648 0.76 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL3734778 0.75 CASR (0.46) MEN1KMT2ASMN1; SMN2LMNACASR
SCHEMBL3734782 0.75 CASR (0.46) MEN1KMT2ASMN1; SMN2LMNACASR
SCHEMBL3985319 0.73 MPO (0.52) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL9088007 0.71 POLB (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT

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 4 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
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
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 MEN1 202/4885KMT2A 4121/4885SMN1; SMN2 4419/4885

“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.