SCHEMBL7089368

SCHEMBL7089368

C[C@@H](c1ccccc1)N1CC[C@H](CC(=O)O)C1(C)I

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 1/20 0.38
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
SLC6A9 P48067 1/20 0.35

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
SCHEMBL8566029 0.71 LMNA (0.52) ALDH1A1CYP2D6OPRM1OPRK1OPRL1
SCHEMBL844128 0.71 LMNA (0.52) ALDH1A1CYP2D6OPRM1OPRK1OPRL1
SCHEMBL4673678 0.71 LMNA (0.52) ALDH1A1CYP2D6OPRM1OPRK1OPRL1
SCHEMBL8564803 0.71 LMNA (0.52) ALDH1A1CYP2D6OPRM1OPRK1OPRL1
SCHEMBL4671814 0.68 CHRM2 (0.39) ALDH1A1CYP2D6KMT2AOPRM1OPRD1
SCHEMBL4675500 0.68 CHRM2 (0.39) ALDH1A1CYP2D6KMT2AOPRM1OPRD1
SCHEMBL4726066 0.68 CYP2D6 (0.43) ALDH1A1CYP2D6HSD11B1KMT2AMEN1
SCHEMBL28219758 0.68 CYP2D6 (0.47) ALDH1A1CYP2D6HSD11B1OPRM1OPRD1
SCHEMBL21966086 0.68 OPRD1 (0.36) ALDH1A1CYP2D6KMT2AMEN1OPRD1
SCHEMBL844723 0.68 OPRM1 (0.42) ALDH1A1CYP2D6KMT2AOPRM1OPRD1

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-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed

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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 ALDH1A1 87/4885CYP2D6 27/4885HSD11B1 58/4885

“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.