SCHEMBL2880053

SCHEMBL2880053

CCCCCC(=O)C1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.50
SLC6A11 P48066 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A13 Q9NSD5 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
CYP2D6 P10635 1/20 0.49
GNAI3 P08754 6/20 0.42
GNAO1 P09471 6/20 0.42
GNAI1 P63096 6/20 0.42
NOS2 P35228 1/20 0.41
NAAA Q02083 3/20 0.39
PRCP P42785 1/20 0.38

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
SCHEMBL9763170 0.82 KMT2A (0.51) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL16856684 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL21341280 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL10067944 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL2124436 0.80 NAAA (0.52) TSHRKMT2ANAAA
SCHEMBL11132036 0.80 NAAA (0.47) TSHRKMT2ANAAA
SCHEMBL11883641 0.79 GNAI3 (0.54) TSHRGNAI3GNAO1GNAI1
SCHEMBL2126800 0.78 NAAA (0.55) TSHRKMT2ANAAA
SCHEMBL797981 0.78 NAAA (0.53) KMT2ANAAA
SCHEMBL2126627 0.78 NAAA (0.55) TSHRKMT2ANAAA

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 11 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-20100280005-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-11-04 US disclosed
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
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124577-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
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP disclosed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 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 SLC6A1 2781/4885SLC6A11 2998/4885TSHR 2126/4885
US-20100280005-A1 Renin Inhibitors REN, ACE, AGTR1 SLC6A1 2752/4885SLC6A11 2978/4885TSHR 2282/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 SLC6A1 1987/4885SLC6A11 2309/4885TSHR 2555/4885
US-20100130471-A1 Renin Inhibitors ACE, REN, DNPEP SLC6A1 1724/4885SLC6A11 1997/4885TSHR 3864/4885

“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.