SCHEMBL7916887

SCHEMBL7916887

CCCCC(=O)NC1(C(=O)OCc2ccccc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
EPHX2 P34913 2/20 0.42
PRCP P42785 1/20 0.42

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
SCHEMBL1840644 0.85 CTSS (0.59) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL1837974 0.82 ALDH1A1 (0.54) CTSBCTSSCTSLALDH1A1MAPK1
SCHEMBL6840056 0.80 SPHK1 (0.44) CTSBCTSLMEN1KMT2AALDH1A1
SCHEMBL11644833 0.79 MEN1 (0.46) MEN1KMT2AALDH1A1EPHX2PRCP
SCHEMBL5592243 0.78 CTSB (0.45) CTSBCTSSCTSLALDH1A1
SCHEMBL13177736 0.78 CTSL (0.54) CTSBCTSSCTSLALDH1A1
SCHEMBL12661032 0.78 CTSL (0.54) CTSBCTSSCTSLALDH1A1
SCHEMBL16391370 0.78 CTSS (0.52) CTSBCTSSCTSLALDH1A1
SCHEMBL1840338 0.77 CTSK (0.53) CTSBCTSSCTSLKMT2ATDP1
SCHEMBL15461470 0.77 CTSB (0.50) CTSBCTSSCTSLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010079405-A2 AN IMPROVED PROCESS FOR PREPARING 1-(PENTANOYLAMINO)CYCLOPENTANECARBOXYLIC ACID ALEMBIC LIMITED (IN) 2010-07-15 WO disclosed
US-20100113798-A1 PROCESS FOR PREPARATION OF IRBESARTAN ALEMBIC LIMITED (IN) 2010-05-06 US disclosed
US-20100113798-A1 PROCESS FOR PREPARATION OF IRBESARTAN ALEMBIC LIMITED (IN) 2010-05-06 US disclosed
US-7652147-B2 Process for preparation of Irbesartan ALEMBIC LIMITED (IN) 2010-01-26 US disclosed
US-7652147-B2 Process for preparation of Irbesartan ALEMBIC LIMITED (IN) 2010-01-26 US disclosed
WO-2007049293-A1 AN IMPROVED PROCESS FOR PREPARATION OF IRBESARTAN ALEMBIC LIMITED (IN) 2007-05-03 WO disclosed
US-20070099973-A1 Process for preparation of Irbesartan ALEMBIC LIMITED (IN) 2007-05-03 US disclosed
US-20070099973-A1 Process for preparation of Irbesartan ALEMBIC LIMITED (IN) 2007-05-03 US disclosed
EP-0475898-A1 Azacyclic compounds CIBA-GEIGY AG (CH) 1992-03-18 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 (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-20070099973-A1 Process for preparation of Irbesartan AGTR1, NPR1, REN CTSB 1487/4885CTSS 1699/4885CTSL 1498/4885
US-20100113798-A1 PROCESS FOR PREPARATION OF IRBESARTAN PAH, AGTR2, AGTR1 CTSB 1034/4885CTSS 1454/4885CTSL 920/4885

“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.