SCHEMBL2531829

SCHEMBL2531829

CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
HPSE Q9Y251 1/20 0.44
KDM1A O60341 8/20 0.43
MAOA P21397 8/20 0.43
MAOB P27338 8/20 0.43
RCOR1 Q9UKL0 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM1B Q8NB78 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL2535561 0.92 MITF (0.49) KDM1AMAOBNPC1RAB9AKMT2A
SCHEMBL2535710 0.91 PTPN1 (0.49) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL2531699 0.91 KDM1A (0.47) HPSEKDM1AMAOAMAOBRCOR1
SCHEMBL2535130 0.90 KMT2A (0.46) HPSEKDM1AMAOAMAOBKMT2A
SCHEMBL2529416 0.88 GRM1 (0.44) NPC1RAB9AKDM4E
SCHEMBL2574768 0.88 MAPT (0.40) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL2530178 0.87 NPC1 (0.40) FFAR1HPSENPC1RAB9AKMT2A
SCHEMBL2530126 0.87 ALDH1A1 (0.40) KDM4EKMT2AMEN1POLB
SCHEMBL2529338 0.86 RAB9A (0.45) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL15509508 0.86 NPC1 (0.43) KDM1AMAOAMAOBRCOR1NPC1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 CN claimed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP claimed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US claimed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP claimed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US claimed
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 CN claimed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US 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
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 CN disclosed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 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 FFAR1 1247/4885HPSE 4636/4885KDM1A 413/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 FFAR1 1247/4885HPSE 4636/4885KDM1A 413/4885

“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.