SCHEMBL3018854

SCHEMBL3018854

Fc1ccccc1OC1=CC[CH]C=C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.38
SLC6A2 P23975 9/20 0.38
SLC6A3 Q01959 4/20 0.38
RHEB Q15382 1/20 0.37
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CXCL8 P10145 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HSPB1 P04792 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MRGPRX1 Q96LB2 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
SCHEMBL18741404 0.87 SLC6A2 (0.38) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL3028362 0.75 SOS1 (0.34) HTR1ASLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL194608 0.74 LTA4H (0.42) HTR1ASLC6A2SLC6A3SLC6A4KMT2A
SCHEMBL4797969 0.71 CHRNB2 (0.35) LMNAHTT
SCHEMBL4799690 0.71 ADORA2A (0.37)
SCHEMBL3024881 0.70 SLC6A2 (0.37) HTR1ASLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL2389927 0.70 HTR1A (0.55) HTR1ASLC6A2SLC6A3RHEBSLC6A4
SCHEMBL30773497 0.70 HTR1A (0.55) HTR1ASLC6A2SLC6A3RHEBSLC6A4
SCHEMBL5737660 0.68 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4004855 0.68 KDM4E (0.38) ALDH1A1LMNAKDM4E

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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A HTR1A 308/4885SLC6A2 266/4885SLC6A3 355/4885

“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.