SCHEMBL9966174

SCHEMBL9966174

CCc1cc2n(n1)C[C@@H](O)COc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 4/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRM5 P41594 1/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL9966382 1.00 MME (0.46) MMEMAPTTDP1CYP19A1MAOB
SCHEMBL9979898 1.00 MME (0.46) MMEMAPTTDP1CYP19A1MAOB
SCHEMBL14978999 0.84 MME (0.46) MMEMAPTTDP1CYP19A1MEN1
SCHEMBL15474173 0.84 MME (0.46) MMEMAPTTDP1CYP19A1MEN1
SCHEMBL15474172 0.84 MME (0.46) MMEMAPTTDP1CYP19A1MEN1
SCHEMBL23119120 0.81 MME (0.47) MMECYP19A1
SCHEMBL21650176 0.81 MME (0.43) MME
SCHEMBL23119130 0.81 MME (0.43) MME
SCHEMBL9963907 0.81 MME (0.44) MMECYP19A1GRM5
SCHEMBL9963906 0.81 MME (0.44) MMECYP19A1GRM5

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-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 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-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885MAPT 556/4885TDP1 1482/4885

“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.