SCHEMBL3678237

SCHEMBL3678237

CCc1ccccc1CNC(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 3/20 0.50
CASR P41180 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
SMPD1 P17405 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL3678235 1.00 MEN1 (0.54) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL3679075 0.81 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL3679074 0.81 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL13226832 0.80 BCHE (0.49) LMNAALDH1A1TACR1
SCHEMBL9088007 0.80 POLB (0.59) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL27535379 0.80 CASR (0.67) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL3746949 0.80 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL3746953 0.80 MEN1 (0.56) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL2168291 0.80 CASR (0.67) MEN1KMT2ASMN1; SMN2HTTCASR
SCHEMBL4074646 0.80 CASR (0.67) MEN1KMT2ASMN1; SMN2HTTCASR

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
EP-1884509-B1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2013-01-02 EP disclosed
US-7728177-B2 Optically active 3-methylcyclopentadecanone and method for producing intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-01 US disclosed
US-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-05-14 US disclosed
EP-1884509-A1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF Takasago International Corporation (JP) 2008-02-06 EP 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-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite CPN1, CAPN1, MCOLN1 MEN1 212/4885KMT2A 2034/4885SMN1; SMN2 1957/4885

“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.