SCHEMBL6399884

SCHEMBL6399884

Nc1ccc2c(c1)CN(C(=O)CCc1ccccc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
NR1H2 P55055 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FKBP1A P62942 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL6961304 0.95 ALDH1A1 (0.53) PTPN2PTPN1ALDH1A1NPC1TDP1
SCHEMBL6394265 0.84 PTPN2 (0.53) PTPN2PTPN1ALDH1A1NPC1NR1H2
SCHEMBL6395061 0.84 NR1H2 (0.55) PTPN2PTPN1ALDH1A1NPC1NR1H2
SCHEMBL6394885 0.82 ALDH1A1 (0.58) PTPN2PTPN1ALDH1A1NPC1TDP1
SCHEMBL6393022 0.79 PTPN1 (0.86) PTPN2PTPN1ALDH1A1NPC1TDP1
SCHEMBL325572 0.79 TMEM97 (0.67) NR1H2
SCHEMBL6392375 0.79 KMT2A (0.61) NPC1TDP1NR1H2KDM4EMAPK1
SCHEMBL396130 0.78 NR1H2 (0.63) NPC1NR1H2TAAR1KMT2ASMN1; SMN2
SCHEMBL8789821 0.77 KMT2A (0.61) ALDH1A1NPC1KDM4EMAPK1KMT2A
SCHEMBL8788627 0.77 KMT2A (0.64) PTPN2PTPN1ALDH1A1NPC1KMT2A

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-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids THE PROCTER & GAMBLE COMPANY 2005-07-14 US disclosed
WO-2004074256-A1 TETRAHYDROISOQUINOLINYL SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO 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-20050154011-A1 Tetrahydroisoquinolnyl sulfamic acids PTPRS, PTPRJ, PTPRM PTPN2 21/4885PTPN1 9/4885ALDH1A1 999/4885

“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.