SCHEMBL3103100

SCHEMBL3103100

OC1CCC(Oc2cc(Cl)ccc2Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.42
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
IRAK1 P51617 2/20 0.38
SYK P43405 1/20 0.38
CHEK1 O14757 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL25310440 0.78 NPC1 (0.47) HTR2CHTR2BNPC1
SCHEMBL359158 0.77 MAPT (0.44) IRAK4IRAK1SYK
SCHEMBL3234159 0.77 SCN8A (0.41) HTR2CHTR2B
SCHEMBL20214021 0.77 HTR2C (0.38) HTR2CHTR2B
SCHEMBL3100383 0.76 SCD (0.44)
SCHEMBL21590353 0.75 HTR2C (0.35) HTR2CHTR2BNPC1
SCHEMBL4800976 0.74 KMO (0.44) IRAK4
SCHEMBL4800981 0.74 KMO (0.44) IRAK4
SCHEMBL4804316 0.74 KMO (0.44) IRAK4
SCHEMBL31641998 0.74 HTR2C (0.61) HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 WO disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 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 (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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 IRAK4 2486/4885HTR2C 3548/4885HTR2B 3869/4885

“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.