SCHEMBL2770108

SCHEMBL2770108

O=C(OCc1ccccc1)N1CC[C@@H](Oc2ncccn2)[C@@H](F)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP3A4 P08684 3/20 0.50
FAAH O00519 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2770114 1.00 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2770111 1.00 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL731051 0.85 GRIN2B (0.47) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL731052 0.85 GRIN2B (0.47) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13162568 0.84 SMN1; SMN2 (0.57) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13162565 0.84 SMN1; SMN2 (0.57) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL19015604 0.84 SMN1; SMN2 (0.57) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13161930 0.82 SMN1; SMN2 (0.56) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1965468 0.82 SMN1; SMN2 (0.55) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13162569 0.82 SMN1; SMN2 (0.56) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 GRIN2B 2085/4885SMN1; SMN2 3213/4885NPC1 4144/4885

“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.