SCHEMBL683426

SCHEMBL683426

CCOC(=O)[C@@H]1CCCN1C(=O)CCS

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.51
ALDH1A1 P00352 4/20 0.46
ACE P12821 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL683098 0.88 FKBP1A (0.53) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL5496862 0.88 FKBP1A (0.53) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL5496855 0.88 FKBP1A (0.53) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL6883997 0.88 FKBP1A (0.53) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL683441 0.85 LMNA (0.52) FKBP1AALDH1A1ACESMN1; SMN2LMNA
SCHEMBL4186372 0.84 FKBP1A (0.56) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL4189488 0.84 FKBP1A (0.56) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL23135754 0.84 FKBP1A (0.50) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL11546707 0.83 FKBP1A (0.49) FKBP1AALDH1A1ACESMN1; SMN2KDM4E
SCHEMBL5495836 0.83 ACE (0.52) FKBP1AALDH1A1ACESMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 FKBP1A 1039/4885ALDH1A1 1041/4885ACE 4514/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF FKBP1A 1111/4885ALDH1A1 1565/4885ACE 6/4885

“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.