SCHEMBL4801846

SCHEMBL4801846

COc1ccccc1CC(=O)Nc1nc2c(s1)CCCC2C(=O)N(C)C1CCN(Cc2cc3ccccc3o2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
HTR2B P41595 5/20 0.43
HTR1A P08908 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.39
CSNK1D P48730 7/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4801125 0.86 SMN1; SMN2 (0.39) DRD2HTR2BHTR1ASMN1; SMN2MAPK1
SCHEMBL4807675 0.82 MAPK1 (0.40) DRD2HTR2BHTR1ASMN1; SMN2HCRTR1
SCHEMBL4805657 0.78 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL4802914 0.78 KMT2A (0.38) CSNK1DLMNAMEN1KMT2A
SCHEMBL3166048 0.75 CSNK1D (0.51) ALOX5CSNK1DMAPK1LMNAMEN1
SCHEMBL4804670 0.74 NPC1 (0.46) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL3163123 0.74 NPC1 (0.44) LMNAKMT2A
SCHEMBL4805240 0.73 HDAC1 (0.42) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1
SCHEMBL3157325 0.72 RORC (0.41) DRD2HTR2BHTR1ASMN1; SMN2MAPK1
SCHEMBL4804499 0.71 CCR5 (0.36) SMN1; SMN2LMNAMEN1KMT2AL3MBTL1

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 DRD2 1287/4885HTR2B 21/4885HTR1A 26/4885

“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.