SCHEMBL4289552

SCHEMBL4289552

CCC(=O)N(c1ccccc1)[C@@](C)(CC(C)C)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
CACNA1F O60840 1/20 0.37
ABCB1 P08183 1/20 0.37
CYP2B6 P20813 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CACNA1D Q01668 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
SCHEMBL24865322 0.75 SMN1; SMN2 (0.41) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL25542682 0.73 KMT2A (0.43) SMN1; SMN2ALDH1A1TP53LMNAOPRM1
SCHEMBL1232993 0.73 KMT2A (0.43) SMN1; SMN2ALDH1A1TP53LMNAOPRM1
SCHEMBL5068716 0.72 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TP53LMNAOPRM1
Hydrochloric Acid SCHEMBL6557848 0.70 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TP53LMNAOPRM1
SCHEMBL25571365 0.69 OPRM1 (0.39) MAPTSMN1; SMN2ALDH1A1TP53OPRM1
SCHEMBL11051641 0.68 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1TP53LMNA
SCHEMBL2069363 0.67 OPRM1 (0.56) SMN1; SMN2ALDH1A1TP53LMNAOPRM1
SCHEMBL2338585 0.67 MAPT (0.53) MAPTSMN1; SMN2LMNAOPRM1GRIN2D
SCHEMBL4674910 0.67 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1TP53LMNA

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 MAPT 2159/4885SMN1; SMN2 2937/4885ALDH1A1 1565/4885

“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.