SCHEMBL3317547

SCHEMBL3317547

CC(NC1CNC1)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
CNR1 P21554 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
SSTR4 P31391 1/20 0.35
CNR2 P34972 1/20 0.34
HIF1A Q16665 3/20 0.34
TSHR P16473 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL8263707 0.84 L3MBTL1 (0.49) HTR6ADRB2ADRB1CNR1L3MBTL1
SCHEMBL3317620 0.81 ADRB2 (0.41) ADRB2CNR1CNR2SLC6A2SLC6A4
SCHEMBL2439245 0.78 SSTR4 (0.58) SSTR4CYP2D6
Hydrochloric Acid SCHEMBL2437871 0.76 SSTR4 (0.56) SSTR4CYP2D6
SCHEMBL3316680 0.76 CNR1 (0.40) CNR1SSTR4SLC6A2SLC6A4HTR2B
SCHEMBL4956360 0.75 GAA (0.65) L3MBTL1GAASLC6A2SLC6A4SLC6A3
SCHEMBL3319712 0.74 CNR1 (0.44) CNR1CNR2
SCHEMBL13187656 0.73 CNR1 (0.40) HTR6ADRB2ADRB1CNR1L3MBTL1
SCHEMBL15247535 0.72 ADRB2 (0.48) HTR6ADRB2ADRB1CNR1L3MBTL1
SCHEMBL1692217 0.72 ADRB2 (0.48) HTR6ADRB2ADRB1CNR1L3MBTL1

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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 HTR6 358/4885ADRB2 43/4885ADRB1 11/4885

“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.