SCHEMBL2815476

SCHEMBL2815476

CC1(C)Cc2ccc(C(=O)O)cc2C1NC(=O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.46
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F10 P00742 1/20 0.39
SLC6A4 P31645 2/20 0.38
PPARG P37231 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 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
SCHEMBL484594 0.89 WDR5 (0.47) PYGLRAB9ANPC1CNR2ALDH1A1
SCHEMBL15235436 0.78 PYGL (0.46) PYGLRAB9ANPC1ALDH1A1F10
SCHEMBL485985 0.78 PYGL (0.46) PYGLRAB9ANPC1ALDH1A1F10
SCHEMBL484760 0.76 ALDH1A1 (0.61) PYGLALDH1A1
SCHEMBL785249 0.76 ALDH1A1 (0.61) PYGLALDH1A1
SCHEMBL485126 0.76 ALDH1A1 (0.61) PYGLALDH1A1
SCHEMBL2817561 0.74 ALDH1A1 (0.72) ALDH1A1
SCHEMBL788838 0.74 ALDH1A1 (0.72) ALDH1A1
SCHEMBL785465 0.74 ALDH1A1 (0.72) ALDH1A1
SCHEMBL13131402 0.74 NFKB1 (0.39) CNR2SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN PYGL 4133/4885RAB9A 678/4885NPC1 1121/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PYGL 4133/4885RAB9A 678/4885NPC1 1121/4885

“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.