SCHEMBL7065449

SCHEMBL7065449

CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM1 P11229 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ROCK2 O75116 1/20 0.38
SYK P43405 1/20 0.38
CHKA P35790 1/20 0.37

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
SCHEMBL7065445 1.00 ITGB3 (0.40) ITGB3ITGA2BHRH3F2F10
SCHEMBL7087657 0.88 GAA (0.51) GAAALDH1A1SMN1; SMN2CYP2C9TSHR
SCHEMBL7087655 0.88 GAA (0.51) GAAALDH1A1SMN1; SMN2CYP2C9TSHR
SCHEMBL7069863 0.87 POLB (0.45) GAAALDH1A1SMN1; SMN2AKR1C3CYP2C9
SCHEMBL7069866 0.87 POLB (0.45) GAAALDH1A1SMN1; SMN2AKR1C3CYP2C9
SCHEMBL7065713 0.87 CA12 (0.48) AKR1C3
SCHEMBL7065717 0.87 CA12 (0.48) AKR1C3
SCHEMBL7068676 0.86 CHIA (0.48) HRH3ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL7068679 0.86 CHIA (0.48) HRH3ALDH1A1SMN1; SMN2AKR1C3
SCHEMBL7068688 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2AKR1C3TSHR

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 ITGB3 4814/4885ITGA2B 4588/4885HRH3 3984/4885
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A ITGB3 4814/4885ITGA2B 4588/4885HRH3 3984/4885

“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.