SCHEMBL6319494

SCHEMBL6319494

C[C@@H](CC(O)(c1ccc(Br)cc1)c1ccc(Br)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRM1 P35372 2/20 0.39
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1A P35348 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A4 P31645 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
PYCR1 P32322 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6319486 1.00 KMT2A (0.40) KMT2AMEN1SIGMAR1OPRK1OPRM1
SCHEMBL6322888 0.85 NPC1 (0.40) KMT2AMEN1SIGMAR1OPRK1OPRM1
SCHEMBL6322890 0.85 NPC1 (0.40) KMT2AMEN1SIGMAR1OPRK1OPRM1
SCHEMBL6320861 0.83 POLB (0.49) KMT2AMEN1OPRM1ADRA2BADRA2C
SCHEMBL6320856 0.83 POLB (0.49) KMT2AMEN1OPRM1ADRA2BADRA2C
SCHEMBL6320371 0.79 HTT (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6320365 0.79 HTT (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6319153 0.77 SMN1; SMN2 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6319157 0.77 SMN1; SMN2 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6320217 0.73 SMN1; SMN2 (0.46) KMT2AMEN1SIGMAR1OPRK1OPRM1

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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 (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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KMT2A 3075/4885MEN1 3533/4885SIGMAR1 634/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 KMT2A 3010/4885MEN1 3327/4885SIGMAR1 465/4885

“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.