SCHEMBL338106

SCHEMBL338106

C[C@@]1(C(=O)O)[C@@H](O)CCN1C(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33

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
SCHEMBL3261909 0.71 MAPK1 (0.33) LMNASMN1; SMN2
SCHEMBL14812010 0.71 MAPK1 (0.33) LMNASMN1; SMN2
SCHEMBL14812009 0.71 MAPK1 (0.33) LMNASMN1; SMN2
SCHEMBL17004439 0.67 MAPK1 (0.31) LMNASMN1; SMN2
SCHEMBL5564424 0.66 ALDH1A1 (0.67) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL15665598 0.66 ALDH1A1 (0.34) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL9056774 0.65 CHRNB2 (0.33) POLB
SCHEMBL16963847 0.62 GRM5 (0.39) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL11847774 0.62 ALDH1A1 (0.37) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL4438715 0.61 ALDH1A1 (0.53) ALDH1A1LMNAPOLBHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 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-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE ALDH1A1 337/4885LMNA 2244/4885POLB 2084/4885

“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.