SCHEMBL6797606

SCHEMBL6797606

CC[C@@]1(C(=O)O)CCC[C@H](NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
GHSR Q92847 1/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL6801760 0.88 GHSR (0.41) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL6797604 0.78 MAPT (0.57) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL6636640 0.77 GHSR (0.65) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL315827 0.77 GHSR (0.57) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL316299 0.76 KMT2A (0.57) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL6642450 0.76 SMN1; SMN2 (0.55) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL316059 0.76 KMT2A (0.59) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL6642290 0.75 SMN1; SMN2 (0.55) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL6636462 0.75 SMN1; SMN2 (0.55) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1
SCHEMBL315998 0.75 KMT2A (0.57) SMN1; SMN2GHSRKMT2AMEN1ALDH1A1

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-20040010005-A1 Stereoselective process for preparing cylcohexyl amine derivatives BARNETT CHARLES JACKSON (US) 2004-01-15 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-20040010005-A1 Stereoselective process for preparing cylcohexyl amine derivatives ALKBH3, AZI2, ALKBH1 SMN1; SMN2 2439/4885GHSR 2273/4885KMT2A 411/4885

“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.