SCHEMBL5879368

SCHEMBL5879368

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TSHR P16473 1/20 0.33
PNMT P11086 1/20 0.31
SCN5A Q14524 3/20 0.31
SCN9A Q15858 3/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5879351 0.78 KIF11 (0.38) KIF11SLC6A4SLC6A3TSHRSCN5A
SCHEMBL5879396 0.75 SIGMAR1 (0.36) KIF11TSHRSIGMAR1
SCHEMBL6990801 0.74 TSHR (0.39) KIF11SLC6A4SLC6A3TSHRPNMT
SCHEMBL9573655 0.67 TSHR (0.44) KIF11SLC6A4SLC6A3TSHRSIGMAR1
SCHEMBL28778794 0.66 TSHR (0.40) KIF11SLC6A4SLC6A3TSHRPNMT
SCHEMBL26305837 0.65 TSHR (0.45) KIF11TSHR
SCHEMBL13946948 0.64 TSHR (0.41) KIF11SLC6A4SLC6A3TSHR
SCHEMBL6986308 0.63 TSHR (0.40) KIF11SLC6A4SLC6A3TSHR
SCHEMBL11882958 0.63 TSHR (0.40) KIF11TSHRPNMT
SCHEMBL6950506 0.63 KIF11 (0.39) KIF11TSHR

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 KIF11 3324/4885SLC6A4 1047/4885SLC6A3 889/4885

“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.