SCHEMBL3773685

SCHEMBL3773685

O=C(CCC1CCCCC1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NAAA Q02083 3/20 0.46
ALDH1A1 P00352 6/20 0.44
IDH1 O75874 3/20 0.43
USP19 O94966 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9743484 1.00 LMNA (0.47) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL9557087 1.00 LMNA (0.47) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL3637332 1.00 LMNA (0.47) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL9743493 1.00 LMNA (0.47) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL1189230 0.99 LMNA (0.48) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL4189285 0.99 LMNA (0.48) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL4189291 0.99 LMNA (0.48) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL19814964 0.96 NAAA (0.46) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL7495438 0.96 NAAA (0.46) LMNASMN1; SMN2MAPK1NAAAALDH1A1
SCHEMBL15443176 0.94 NAAA (0.48) LMNASMN1; SMN2MAPK1NAAAALDH1A1

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-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-5242903-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-09-07 US disclosed
US-5095006-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0412350-A2 Renininhibitors, procedure for their preparation and use as medicaments BAYER AG (DE) 1991-02-13 EP 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-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 LMNA 1044/4885SMN1; SMN2 3337/4885MAPK1 2201/4885

“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.