SCHEMBL5168937

SCHEMBL5168937

C[C@H](CCc1cccs1)C(N)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
ADRA2A P08913 3/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ADAM17 P78536 3/20 0.40
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CTSC P53634 2/20 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
SCHEMBL5310132 0.82 KMT2A (0.50) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL3657993 0.82 TAAR1 (0.55) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL9685393 0.82 KMT2A (0.50) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL10728212 0.82 KMT2A (0.50) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL4729505 0.77 TAAR1 (0.54) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL4205163 0.76 TAAR1 (0.44) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL4210706 0.76 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CRAB9A
Ammonia Solution, Strong SCHEMBL28852825 0.76 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL10667983 0.75 TAAR1 (0.57) TAAR1ADRA2AADRA2BADRA2CRAB9A
SCHEMBL3389972 0.75 TAAR1 (0.47) TAAR1ADRA2AADRA2BADRA2CRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885ADRA2A 488/4885ADRA2B 369/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885ADRA2A 488/4885ADRA2B 369/4885

“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.