SCHEMBL3683201

SCHEMBL3683201

CC1=Cc2cccc(CCC3c4ccccc4-c4ccccc43)c2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.33
HRH1 P35367 6/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
THPO P40225 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL3676744 0.86 KDM4E (0.30) HTR2AHRH1KDM4ELMNATP53
SCHEMBL3683410 0.86 HTR2A (0.35) HTR2AMEN1KMT2A
SCHEMBL3686997 0.80 HTR2A (0.43) HTR2AHRH1DRD2SLC6A2HTR2C
SCHEMBL3684526 0.79 HTR6 (0.36)
SCHEMBL5954199 0.75 HTR2A (0.36) HTR2AHRH1KDM4ELMNACHRM2
SCHEMBL12319663 0.75 TAAR1 (0.46) HTR2AHRH1DRD2DRD3SMN1; SMN2
SCHEMBL3677282 0.74
SCHEMBL3678916 0.74 HTR6 (0.30)
SCHEMBL1319401 0.73 KDM4E (0.33) HTR2AHRH1KDM4ELMNACHRM2
SCHEMBL13905661 0.73 KDM4E (0.33) HTR2AHRH1KDM4ELMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-20120252993-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2012-10-04 US disclosed
US-20100305286-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2010-12-02 US disclosed
EP-2215129-A2 CATALYSTS Borealis Technology OY (FI) 2010-08-11 EP disclosed
WO-2009027075-A2 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2009-03-05 WO 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 (2 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-20120252993-A1 CATALYSTS CYP4F11, COXFA4, CYP2F1 HTR2A 4526/4885HRH1 3553/4885KDM4E 4078/4885
US-20100305286-A1 CATALYSTS H1-2, CCNL2, H1-3 HTR2A 1940/4885HRH1 724/4885KDM4E 2823/4885

“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.