SCHEMBL1785929

SCHEMBL1785929

CC1(N(Cc2ccccc2)C(=O)O)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MMP8 P22894 1/20 0.40
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16728416 0.79 NPSR1 (0.44) NPSR1NPC1RAB9ACA12CA9
SCHEMBL16728415 0.79 NPSR1 (0.44) NPSR1NPC1RAB9ACA12CA9
SCHEMBL16728439 0.79 NPSR1 (0.44) NPSR1NPC1RAB9ACA12CA9
SCHEMBL19470000 0.78 OPRM1 (0.44) NPSR1NPC1RAB9ACA12CA9
SCHEMBL5592055 0.75 NPSR1 (0.41) NPSR1NPC1RAB9ACA12CA9
SCHEMBL26914823 0.74 CYP2D6 (0.58) ALDH1A1HPGD
SCHEMBL26914727 0.72 OPRM1 (0.52) ALDH1A1
SCHEMBL17688377 0.71 LMNA (0.39) NPSR1NPC1RAB9ALMNAKMT2A
Hydrochloric Acid SCHEMBL19024459 0.70 LMNA (0.38) NPSR1KDM4ELMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL19024460 0.70 LMNA (0.38) NPSR1KDM4ELMNAKMT2AMEN1

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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 NPSR1 11/4885NPC1 3467/4885RAB9A 1186/4885

“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.