SCHEMBL2533760

SCHEMBL2533760

CC1(C)Cc2cc(C(=O)NS(=O)(=O)C3CC3)ccc2NC1c1cc(N2CCOCC2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.40
SCN5A Q14524 4/20 0.37
MAPT P10636 4/20 0.36
SCN2B O60939 4/20 0.36
SCN1B Q07699 4/20 0.36
SCN1A P35498 2/20 0.36
SETD2 Q9BYW2 1/20 0.36
KDM4E B2RXH2 1/20 0.34
KIF11 P52732 1/20 0.34
HPGD P15428 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34

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
SCHEMBL2530133 0.88 SCN9A (0.41) SCN9ASCN5AMAPTKDM4E
SCHEMBL2532896 0.86 KMO (0.42) MAPTSETD2KDM4EKIF11HPGD
SCHEMBL2532753 0.86 SCN9A (0.39) SCN9ASCN5AMAPTSCN2BSCN1B
SCHEMBL14331222 0.85 HTR1D (0.39) MAPTSETD2KDM4EKIF11ABHD6
SCHEMBL2530612 0.85 SCN9A (0.39) SCN9ASCN5AMAPTSCN2BSCN1B
SCHEMBL2529635 0.83 SCN9A (0.39) SCN9ASCN5AMAPTSCN2BSCN1B
SCHEMBL2532541 0.82 SCN9A (0.42) SCN9ASCN5AMAPTSCN2BSCN1B
SCHEMBL2532917 0.82 SCN9A (0.38) SCN9AMAPTKDM4EHPGDABHD6
SCHEMBL2537484 0.81 SIRT2 (0.45) MAPTKDM4EHPGD
SCHEMBL15510176 0.80 KIF11 (0.38) MAPTSETD2KDM4EKIF11ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP claimed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO claimed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US claimed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 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 (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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SCN9A 1025/4885SCN5A 267/4885MAPT 3094/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SCN9A 1025/4885SCN5A 267/4885MAPT 3094/4885

“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.