SCHEMBL3686997

SCHEMBL3686997

CC1=Cc2c(CCC3c4ccccc4-c4ccccc43)cccc2C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.43
HRH1 P35367 9/20 0.43
HTR2C P28335 3/20 0.35
PNMT P11086 1/20 0.35
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
DRD2 P14416 1/20 0.32
RET P07949 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
SCHEMBL3683201 0.80 HTR2A (0.33) HTR2AHRH1HTR2CSLC6A2DRD2
SCHEMBL7465941 0.78 PNMT (0.35) HTR2APNMT
SCHEMBL4653293 0.72
SCHEMBL7628272 0.70 GABRA1 (0.40) HTR2AHTR2CPNMTDRD2
SCHEMBL12935970 0.69 PNMT (0.33) PNMT
SCHEMBL4651927 0.69 CYP1A2 (0.33)
SCHEMBL5953538 0.68 HTR2A (0.42) HTR2AHRH1PNMTDRD2
SCHEMBL29262894 0.68 HTR2A (0.43) HTR2AHRH1HTR2C
SCHEMBL3683410 0.68 HTR2A (0.35) HTR2A
SCHEMBL12935958 0.68 METAP1 (0.49) HTR2AHRH1HTR2CDRD2

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 3 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

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 3553/4885HTR2C 4081/4885
US-20100305286-A1 CATALYSTS H1-2, CCNL2, H1-3 HTR2A 1940/4885HRH1 724/4885HTR2C 1239/4885

“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.