SCHEMBL4805422

SCHEMBL4805422

CCN(CC)CCNC(=O)C1CCCc2sc(NC(=O)CCc3ccccc3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ GLS O94925 1/20 0.45
▸ NPC1 O15118 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SLC12A2 P55011 1/20 0.40
▸ SLC12A5 Q9H2X9 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ IGF1R P08069 1/20 0.39

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
SCHEMBL3172349 0.82 ADORA3 (0.50) NPC1ADORA3MAOBADORA2AADORA2B
SCHEMBL3172354 0.75 ADORA3 (0.48) NPC1ADORA3MAOBADORA2AADORA2B
SCHEMBL4803743 0.74 XIAP (0.46) GLSALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4802563 0.73 MEN1 (0.45) GAANPC1ALDH1A1RAB9ATSHR
SCHEMBL13314804 0.72 MAPT (0.40) GAANPC1ALDH1A1LMNASLC12A2
SCHEMBL3535006 0.72 MAPT (0.40) GAANPC1ALDH1A1LMNASLC12A2
SCHEMBL3536190 0.72 F2 (0.44) GAANPC1ALDH1A1POLBRAB9A
SCHEMBL3172964 0.71 PARP1 (0.47) GAANPC1ALDH1A1HSD17B10LMNA
SCHEMBL4805873 0.70 CHRM4 (0.42) GAANPC1ALDH1A1LMNASLC12A2
SCHEMBL3542684 0.69 XIAP (0.37) NPC1ALDH1A1HSD17B10LMNARAB9A

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-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 GAA 1959/4885GLS 705/4885NPC1 2506/4885

“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.

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