SCHEMBL3338089

SCHEMBL3338089

CC(=O)N1CCc2cc(S(=O)(=O)n3cc(N4CCNCC4)c4ccccc43)ccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.56
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
TNF P01375 2/20 0.48
NOD2 Q9HC29 2/20 0.48
NOD1 Q9Y239 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL3337694 0.90 HTR6 (0.63) HTR6MAPK1LMNACYP3A4CYP2D6
SCHEMBL5009048 0.88 HTR6 (0.61) HTR6MAPK1LMNATNFNOD2
SCHEMBL3342597 0.85 ALDH1A1 (0.48) HTR6MAPK1LMNATNFNOD2
SCHEMBL3338516 0.81 MAPK1 (0.52) MAPK1LMNATNFNOD2NOD1
SCHEMBL7259899 0.77 HTR6 (0.62) HTR6CYP3A4CYP2D6
SCHEMBL5091056 0.77 TNF (0.55) HTR6MAPK1LMNATNFNOD2
SCHEMBL3339183 0.76 HTR6 (0.65) HTR6MAPK1LMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL26912016 0.76 HTR6 (0.61) HTR6CYP3A4CYP2D6
SCHEMBL3339265 0.74 HTR6 (0.51) HTR6CYP3A4CYP2D6
SCHEMBL5097602 0.74 TNF (0.51) HTR6MAPK1LMNATNFNOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696229-B2 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US claimed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 US claimed
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-06-17 US disclosed
US-7696229-B2 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 US disclosed
EP-1984351-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20080039462-A1 Compounds having 5-HT6 receptor affinity MEMORY PHARMACEUTICALS CORPORATION 2008-02-14 US disclosed
WO-2007098418-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2007-08-30 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 (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-20100152177-A1 COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B HTR6 1/4885MAPK1 3752/4885LMNA 2331/4885
US-20080039462-A1 Compounds having 5-HT6 receptor affinity HTR6, HTR3B, HTR1B HTR6 1/4885MAPK1 3752/4885LMNA 2331/4885

“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.