SCHEMBL12428550

SCHEMBL12428550

N=C(N)NCC1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
KDM4C Q9H3R0 3/20 0.46
KDM5A P29375 2/20 0.46
KDM5B Q9UGL1 2/20 0.46
PDPK1 O15530 1/20 0.46
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL9499593 0.85 HTR6 (0.65) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL1568036 0.81 KDM4C (0.53) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL315200 0.78 HTR6 (0.69) HTR6KDM4C
SCHEMBL315259 0.78 HTR6 (0.82) HTR6
SCHEMBL12428551 0.77 KDM4C (0.45) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL10469025 0.76 HTR6 (0.59) HTR6KDM4CKDM5AKDM5BPDPK1
SCHEMBL3902319 0.76 HTR6 (0.59) HTR6
SCHEMBL3912579 0.76 HTR6 (0.62) HTR6
SCHEMBL9499994 0.76 HTR6 (0.54) HTR6
SCHEMBL17257943 0.75 KDM4C (0.50) KDM4CKDM5AKDM5BPDPK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981923-B2 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF HARRIS III RALPH NEW 2010-05-27 US disclosed
US-7671235-B2 N-[6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-N-methyl-methanesulfonamide; 5-HT6 and 5-HT2A receptor modulators; selectiveserotonin reuptake inhibitors; selective seotonin receptor antagonists;gastrointestinal disorders; irritable bowel syndrome; cental nervous system ROCHE PALO ALTO LLC (US) 2010-03-02 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015256-A1 Tetralin and indane derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 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 (3 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B HTR6 1/4885KDM4C 4108/4885KDM5A 4023/4885
US-20080015256-A1 Tetralin and indane derivatives and uses thereof INSRR, TTN, INSR HTR6 1360/4885KDM4C 4729/4885KDM5A 4846/4885
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, TTN, INSR HTR6 1360/4885KDM4C 4729/4885KDM5A 4846/4885

“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.