SCHEMBL5628447

SCHEMBL5628447

CN1CCCC1C[CH]NS(=O)(=O)c1ccc2c(c1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.52
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2C P28335 8/20 0.43
HTR2B P41595 6/20 0.43
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
F10 P00742 1/20 0.40
TPSAB1 Q15661 1/20 0.39
NMT1 P30419 1/20 0.38

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
SCHEMBL2403756 0.83 PNMT (0.53) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL1241177 0.83 PNMT (0.53) PNMTADRA2AADRA2BADRA2CHTR2C
Hydrochloric Acid SCHEMBL2405913 0.82 PNMT (0.52) PNMTADRA2AADRA2BADRA2CHTR2C
Hydrochloric Acid SCHEMBL1242900 0.82 PNMT (0.52) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL2493533 0.72 HTR2C (0.48) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL1076217 0.70 PNMT (1.00) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL17258825 0.70 PNMT (0.57) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL6163006 0.69 PNMT (0.72) PNMTADRA2AADRA2BADRA2CHTR2C
Hydrochloric Acid SCHEMBL5682410 0.69 PNMT (0.97) PNMTADRA2AADRA2BADRA2CHTR2C
SCHEMBL5629013 0.69 PNMT (0.50) PNMTHTR2CHTR2BTPSAB1

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 1 patent. 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 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 30/4885ADRA2A 224/4885ADRA2B 300/4885

“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.