SCHEMBL14100641

SCHEMBL14100641

CCc1nn(S(=O)(=O)c2ccc3c(c2)N(C)CCO3)c2cc(N3CCNCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KHK P50053 7/20 0.48
HTR6 P50406 6/20 0.41
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
PKLR P30613 1/20 0.40
RAB9A P51151 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD2 Q9HC29 1/20 0.40
USP9X Q93008 1/20 0.38

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
SCHEMBL5094990 0.94 KHK (0.47) KHKHTR6PKMRIPK2NOD2
SCHEMBL5103838 0.89 KHK (0.45) KHKHTR6PKMNPC1PKLR
SCHEMBL5095045 0.85 KHK (0.47) KHKHTR6PKMUSP9X
SCHEMBL5095090 0.82 HTR6 (0.55) HTR6PKMNPC1PKLRRAB9A
SCHEMBL5095027 0.82 KHK (0.45) KHKHTR6
SCHEMBL14100642 0.81 RXFP1 (0.49) KHKPKM
SCHEMBL5097229 0.80 KHK (0.66) KHKHTR6
SCHEMBL5091052 0.80 PKM (0.43) HTR6PKMNPC1PKLRRAB9A
SCHEMBL14140641 0.80 GHSR (0.39) HTR6USP9X
SCHEMBL5091038 0.80 KHK (0.46) KHKHTR6

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-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 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-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR1A KHK 3564/4885HTR6 1/4885PKM 3556/4885

“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.