SCHEMBL5629013

SCHEMBL5629013

CC1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.50
HTR2C P28335 2/20 0.50
HTR2B P41595 2/20 0.50
TPSAB1 Q15661 1/20 0.48
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CXCR4 P61073 6/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL1243526 0.84 HRH3 (0.57) PNMTHTR2CHTR2BTPSAB1HRH3
SCHEMBL17258825 0.79 PNMT (0.57) PNMTHTR2CHTR2BTPSAB1HRH3
SCHEMBL1243584 0.77 PNMT (0.55) PNMTHTR2CHTR2BTPSAB1
SCHEMBL2403756 0.77 PNMT (0.53) PNMTHTR2CHTR2BTPSAB1TSHR
SCHEMBL1241177 0.77 PNMT (0.53) PNMTHTR2CHTR2BTPSAB1TSHR
SCHEMBL1242901 0.77 POLB (0.60) PNMTHTR2CHTR2BTPSAB1HRH3
Hydrochloric Acid SCHEMBL1242900 0.77 PNMT (0.52) PNMTHTR2CHTR2BTPSAB1TSHR
Hydrochloric Acid SCHEMBL2405913 0.77 PNMT (0.52) PNMTHTR2CHTR2BTPSAB1TSHR
SCHEMBL1243393 0.75 TPSAB1 (0.51) PNMTHTR2CHTR2BTPSAB1HRH3
SCHEMBL1244028 0.75 PNMT (0.61) PNMTHTR2CHTR2BTPSAB1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 US claimed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 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 (1 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-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 PNMT 30/4885HTR2C 23/4885HTR2B 25/4885

“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.