SCHEMBL6884928

SCHEMBL6884928

O=C1N(Cc2ccc(-c3ccccc3)cn2)CCN1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
PRMT5 O14744 5/20 0.43
HDAC1 Q13547 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
ENPP2 Q13822 2/20 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
SCHEMBL6885814 0.83 PRMT5 (0.46) PRMT5ENPP2
SCHEMBL1643515 0.81 FFAR1 (0.46) RAB9AMEN1NPC1KMT2ADRD2
SCHEMBL6885909 0.78 ENPP2 (0.43) PRMT5ENPP2
SCHEMBL7359344 0.75 DRD2 (0.50) ROCK2RAB9AMEN1NPC1KMT2A
SCHEMBL6888436 0.75 FAAH (0.45) HDAC1ENPP2
SCHEMBL6886663 0.75 L3MBTL1 (0.55) MEN1NPC1KMT2APRMT5ENPP2
Hydrochloric Acid SCHEMBL8389936 0.74 DRD2 (0.49) ROCK2RAB9AMEN1NPC1KMT2A
SCHEMBL6886805 0.73 GRM2 (0.43) PRMT5EGLN1ENPP2
SCHEMBL6885751 0.73 GRIN1 (0.47) ENPP2
SCHEMBL6886132 0.73 ENPP2 (0.41) RAB9AMEN1NPC1KMT2APRMT5

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-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 ROCK2 3279/4885RAB9A 2271/4885MEN1 4037/4885

“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.