SCHEMBL395312

SCHEMBL395312

C#CCCn1nccc1-c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.40
ADRA1A P35348 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
FLT1 P17948 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
LIMK1 P53667 1/20 0.36
ROCK1 Q13464 1/20 0.36
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL103063 0.78 P2RX7 (0.38) P2RX7CLK4RAB9ASMN1; SMN2NPC1
SCHEMBL16545859 0.72 FLT1 (0.45) ADRA1ACLK4FLT1CDK8CDK9
SCHEMBL103375 0.71 CREBBP (0.47)
SCHEMBL104366 0.70 KDM5A (0.35) RAB9ASMN1; SMN2NPC1CYP11B1CYP11B2
SCHEMBL394277 0.68 KMT2A (0.36) ADRA1ACLK4RAB9ASMN1; SMN2NPC1
SCHEMBL103298 0.66 CYP11B2 (0.46) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL27504156 0.62 P2RX7 (0.40) P2RX7ADRA1ARAB9ANPC1MAPT
SCHEMBL102485 0.61 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1MAPTTHRB
SCHEMBL23087900 0.60 ALDH1A1 (0.54) P2RX7ADRA1ARAB9ASMN1; SMN2NPC1
SCHEMBL29915105 0.60 ALDH1A1 (0.54) P2RX7ADRA1ARAB9ASMN1; SMN2NPC1

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-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 P2RX7 287/4885ADRA1A 705/4885CLK4 4533/4885

“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.