SCHEMBL5650132

SCHEMBL5650132

O=C(O)[C@]12CCCC1CN(Cc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ARG1 P05089 1/20 0.43
ARG2 P78540 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
FUCA1 P04066 2/20 0.41

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
SCHEMBL5455516 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AARG1ARG2
SCHEMBL18428222 0.92 ARG1 (0.44) ALDH1A1MEN1KMT2AARG1ARG2
SCHEMBL2670096 0.86 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6BCHEACHE
SCHEMBL14367739 0.86 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6BCHEACHE
SCHEMBL2670100 0.86 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6BCHEACHE
SCHEMBL1282150 0.86 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6BCHEACHE
SCHEMBL2670728 0.83 KMT2A (0.43) ALDH1A1KMT2ATSHRKDM4ECYP2D6
SCHEMBL3259925 0.83 S1PR1 (0.47) ALDH1A1MEN1KMT2AARG1ARG2
SCHEMBL4487651 0.83 S1PR1 (0.47) ALDH1A1MEN1KMT2AARG1ARG2
SCHEMBL3228487 0.83 S1PR1 (0.47) ALDH1A1MEN1KMT2AARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270417-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-22 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-20070270417-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 ALDH1A1 2750/4885MEN1 2360/4885KMT2A 4492/4885

“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.