SCHEMBL7068690

SCHEMBL7068690

CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 2/20 0.43
PANK3 Q9H999 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
AKR1C3 P42330 1/20 0.42

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
SCHEMBL7068688 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2TSHRLMNASMN1; SMN2
SCHEMBL7069863 0.90 POLB (0.45) ALDH1A1TSHRLMNASMN1; SMN2GFER
SCHEMBL7069866 0.90 POLB (0.45) ALDH1A1TSHRLMNASMN1; SMN2GFER
SCHEMBL7065717 0.89 CA12 (0.48) CA12CA2CA9KMT2AMEN1
SCHEMBL7065713 0.89 CA12 (0.48) CA12CA2CA9KMT2AMEN1
SCHEMBL7068679 0.89 CHIA (0.48) ALDH1A1LMNASMN1; SMN2KMT2ACNR1
SCHEMBL7068676 0.89 CHIA (0.48) ALDH1A1LMNASMN1; SMN2KMT2ACNR1
SCHEMBL7087657 0.88 GAA (0.51) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL7087655 0.88 GAA (0.51) ALDH1A1TSHRLMNASMN1; SMN2POLB
SCHEMBL7065449 0.86 ITGB3 (0.40) ALDH1A1TSHRSMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production THOMPSON LORIN A (US) 2003-12-18 US disclosed
US-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 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 (2 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-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A ALDH1A1 3091/4885CYP1A2 3325/4885TSHR 4759/4885
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A ALDH1A1 3091/4885CYP1A2 3325/4885TSHR 4759/4885

“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.