SCHEMBL5267410

SCHEMBL5267410

CC[C@H](C)[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TRPA1 O75762 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 2/20 0.38
TP53 P04637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL28340175 0.85 ADRA2B (0.49) SIGMAR1TSHRMEN1KMT2ATRPA1
SCHEMBL5658196 0.85 ADRA2B (0.49) SIGMAR1TSHRMEN1KMT2ATRPA1
SCHEMBL5268345 0.84 SIGMAR1 (0.42) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL5268338 0.84 SIGMAR1 (0.42) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL841593 0.77 TSHR (0.42) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL841592 0.77 TSHR (0.42) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL1371851 0.77 TSHR (0.45) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL4662517 0.77 TSHR (0.45) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL1371848 0.77 TSHR (0.45) SIGMAR1TSHRMEN1KMT2AADRA2B
SCHEMBL543743 0.74 MEN1 (0.41) SIGMAR1TSHRMEN1KMT2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1287006-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2007-10-24 EP disclosed
US-7138547-B2 Antitumoral compounds PHARMA MAR, S.A. 2006-11-21 US disclosed
US-20040048834-A1 Antitumoral compounds PHARMA MAR, S.A. (ES) 2004-03-11 US 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-20040048834-A1 Antitumoral compounds HCCS, MSR1, SUCNR1 SIGMAR1 6/4885TSHR 193/4885MEN1 3148/4885

“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.