SCHEMBL3089936

SCHEMBL3089936

O=C(O)c1ccc2c(c1)CN(C(=O)Cc1ccccc1Cl)CC2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.54
ERCC4 Q92889 1/20 0.54
RAB9A P51151 5/20 0.49
NPC1 O15118 3/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
MYC P01106 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KRAS P01116 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3286985 0.84 CYP2C9 (0.49) ERCC1ERCC4RAB9ANPC1KMT2A
SCHEMBL15062812 0.83 ERCC1 (0.51) ERCC1ERCC4RAB9ANPC1KMT2A
SCHEMBL3095946 0.80 HPGD (0.71) RAB9ANPC1KMT2AMYCALDH1A1
SCHEMBL3286990 0.78 NPC1 (0.52) RAB9ANPC1KMT2AMYCALDH1A1
SCHEMBL3078114 0.77 BDKRB1 (0.53) MAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3281763 0.76 TSHR (0.50) RAB9ANPC1KMT2AMYCALDH1A1
SCHEMBL3282335 0.76 HDAC6 (0.44) RAB9ANPC1KMT2AMAPK1MYC
SCHEMBL28052395 0.75 MYC (0.56) KMT2AMAPK1MYCALDH1A1HPGD
SCHEMBL3095929 0.75 MAPT (0.54) RAB9ANPC1KMT2AMAPK1MYC
SCHEMBL3095935 0.75 MAPT (0.54) RAB9ANPC1KMT2AMAPK1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B ERCC1 3776/4885ERCC4 4018/4885RAB9A 264/4885

“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.