SCHEMBL2866077

SCHEMBL2866077

CCCCC(OC)C(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
GLA P06280 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
CTSK P43235 2/20 0.40
PKM P14618 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSS P25774 1/20 0.39
RAB9A P51151 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
SCHEMBL10304887 0.84 L3MBTL1 (0.44) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL4440118 0.84 L3MBTL1 (0.46) POLBSMN1; SMN2ALDH1A1HPGDCTSK
SCHEMBL17901791 0.83 CYP3A4 (0.50) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL4400005 0.83 CYP3A4 (0.43) LMNASMN1; SMN2CYP3A4CYP2C19HTT
SCHEMBL19792871 0.79 CYP3A4 (0.56) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL4394457 0.79 CYP3A4 (0.45) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL8392919 0.78 HTT (0.47) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL21538501 0.78 HTT (0.47) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL22264520 0.78 ALDH1A1 (0.54) POLBLMNASMN1; SMN2CYP3A4CYP2C19
SCHEMBL4400001 0.76 CYP3A4 (0.43) SMN1; SMN2CYP3A4CYP2C19HTTGAA

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-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
US-20100130471-A1 Renin Inhibitors SMITHKLINE BEECHAM CORPORATION 2010-05-27 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO 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 (4 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 POLB 1716/4885LMNA 1556/4885SMN1; SMN2 4034/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 POLB 1384/4885LMNA 3150/4885SMN1; SMN2 3061/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 POLB 1077/4885LMNA 2089/4885SMN1; SMN2 1848/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP POLB 1262/4885LMNA 1928/4885SMN1; SMN2 1943/4885

“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.