SCHEMBL5879396

SCHEMBL5879396

C=CCC(C#N)(CCCCC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
EBP Q15125 1/20 0.36
TSHR P16473 1/20 0.33
KIF11 P52732 1/20 0.33
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 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
SCHEMBL6955463 0.78 ALDH1A1 (0.35) TSHRKIF11HSD17B10
SCHEMBL7137116 0.78 ALDH1A1 (0.35) TSHRKIF11HSD17B10
SCHEMBL11234738 0.78 SIGMAR1 (0.36) SIGMAR1EBPTSHRKIF11CNR2
SCHEMBL5879351 0.76 KIF11 (0.38) SIGMAR1TSHRKIF11CNR2CNR1
SCHEMBL5879368 0.75 KIF11 (0.35) SIGMAR1TSHRKIF11
SCHEMBL7266435 0.74 EBP (0.53) SIGMAR1EBP
SCHEMBL8445608 0.73 TSHR (0.40) TSHRKIF11CASP1HSD17B10CNR2
SCHEMBL6986308 0.73 TSHR (0.40) TSHRKIF11
SCHEMBL8470869 0.70
SCHEMBL10372417 0.70 TDP1 (0.40) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034056-B2 Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-25 US disclosed
US-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity SCHERING CORPORATION 2003-05-15 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-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity MCHR1, MCHR2, MC3R SIGMAR1 68/4885EBP 1214/4885TSHR 128/4885

“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.