SCHEMBL3320538

SCHEMBL3320538

Cc1cc(F)ccc1C(C)NC1CNC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
SOS1 Q07889 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2C P28335 2/20 0.34
SSTR4 P31391 1/20 0.34
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HRH1 P35367 1/20 0.32
HTR2A P28223 1/20 0.32
OPRL1 P41146 1/20 0.31

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
SCHEMBL3313025 0.84 CHRNB2 (0.37) CHRNB2CHRNA4HTR2CSLC6A2SLC6A4
SCHEMBL3317620 0.84 ADRB2 (0.41) ADRB2SOS1CHRNB2CHRNB4CHRNA3
SCHEMBL3319177 0.76 SOS1 (0.37) SOS1OPRL1
SCHEMBL3314991 0.76 ADRB2 (0.54) ADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL24007286 0.72 SOS1 (0.36) SOS1SLC6A4HTR2A
SCHEMBL9900783 0.71 LMNA (0.40) CHRNB2CHRNB4CHRNA3CHRNA4HTR2C
SCHEMBL3317547 0.70 HTR6 (0.45) ADRB2SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL84044 0.68 ALDH1A1 (0.41) SLC6A2
SCHEMBL3316512 0.68 DRD2 (0.38) CHRNB2CHRNA4SSTR4SLC6A2SLC6A4
SCHEMBL3316680 0.67 CNR1 (0.40) SOS1CHRNB2CHRNA4HTR2CSSTR4

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 ADRB2 43/4885SOS1 521/4885CHRNB2 45/4885

“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.