SCHEMBL15813622

SCHEMBL15813622

Cn1nc([C@@H]2CCCN2C(=O)O)cc1N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CFD P00746 1/20 0.33
SCD5 Q86SK9 4/20 0.33
EPHX2 P34913 1/20 0.33
SCD O00767 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL15828462 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8015099 0.79 CHRNB4 (0.43)
SCHEMBL18694028 0.79 RAB9A (0.58) RIPK1CPT1AHCRTR1HCRTR2SCD5
SCHEMBL28875722 0.74 ADAM17 (0.46) RIPK1CPT1AHCRTR2SCDCCNC
SCHEMBL20187358 0.74 ADAM17 (0.46) RIPK1CPT1AHCRTR2SCDCCNC
SCHEMBL20187333 0.70 RIPK1 (0.37) RIPK1EPHX2ALDH1A1GPBAR1CCNC
SCHEMBL20187323 0.70 KMT2A (0.43) RIPK1ALDH1A1CCNCCDK8HSP90AA1
SCHEMBL354309 0.70 HSD17B10 (0.50) CPT2CPT1AALDH1A1
SCHEMBL28887425 0.70 KMT2A (0.43) RIPK1ALDH1A1CCNCCDK8HSP90AA1
SCHEMBL20187314 0.70 KMT2A (0.43) RIPK1ALDH1A1CCNCCDK8HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 RIPK1 3846/4885CPT2 2571/4885CPT1A 903/4885

“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.