SCHEMBL12428546

SCHEMBL12428546

c1ccc2c(c1)CCCC2CNC1=NCCN1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.53
CYP2D6 P10635 2/20 0.53
ADRA2A P08913 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
KDM4C Q9H3R0 3/20 0.50
KDM5A P29375 2/20 0.50
KDM5B Q9UGL1 2/20 0.50
HTR1D P28221 6/20 0.46
CYP19A1 P11511 1/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL315964 0.81 HTR6 (0.70) KDM4C
SCHEMBL3902313 0.78 HTR6 (0.52) KDM4CKDM5B
SCHEMBL3907933 0.78 HTR6 (0.54) KDM4C
SCHEMBL11730523 0.77 CYP2D6 (0.57) HTR1ACYP2D6ADRA2AADRA1AOPRM1
SCHEMBL12442744 0.77 LMNA (0.60) HTR1ACYP2D6ADRA2AADRA1AOPRM1
SCHEMBL1718475 0.77 LMNA (0.60) HTR1ACYP2D6ADRA2AADRA1AOPRM1
Hydrochloric Acid SCHEMBL11727354 0.76 CYP2D6 (0.58) HTR1ACYP2D6ADRA2AADRA1AOPRM1
Hydrochloric Acid SCHEMBL3501970 0.76 LMNA (0.59) HTR1ACYP2D6ADRA2AADRA1AOPRM1
SCHEMBL8811013 0.76 KDM4C (0.60) KDM4CKDM5AKDM5BCYP19A1TBXAS1
SCHEMBL10469025 0.74 HTR6 (0.59) KDM4CKDM5AKDM5B

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 HTR1A 6/4885CYP2D6 29/4885ADRA2A 73/4885
US-20080015256-A1 Tetralin and indane derivatives and uses thereof INSRR, TTN, INSR HTR1A 1548/4885CYP2D6 255/4885ADRA2A 282/4885
US-20100130742-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF INSRR, TTN, INSR HTR1A 1548/4885CYP2D6 255/4885ADRA2A 282/4885

“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.