SCHEMBL513472

SCHEMBL513472

CCC(CC)(c1nnn(-c2ccccc2)n1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 12/20 0.38
ABCB1 P08183 4/20 0.38
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CPT1A P50416 1/20 0.33

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
SCHEMBL4408946 0.72 ABCG2 (0.46) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4408406 0.69 ABCG2 (0.44) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL10475779 0.69 HPGD (0.57) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4408852 0.69 ABCG2 (0.46) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL4404185 0.69 ABCG2 (0.46) HPGDABCG2ABCB1NPC1RAB9A
Hydrogen Peroxide SCHEMBL8609891 0.68 PTPN1 (0.52) PKM
SCHEMBL1556937 0.68 PTPN1 (0.52) PKM
SCHEMBL4406033 0.66 ABCG2 (0.44) HPGDABCG2ABCB1NPC1RAB9A
SCHEMBL1585204 0.66 TSHR (0.41) PKM
SCHEMBL4407303 0.65 HPGD (0.57) HPGDABCG2ABCB1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 HPGD 1718/4885ABCG2 1051/4885ABCB1 2117/4885

“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.