SCHEMBL6322888

SCHEMBL6322888

CC(CC(O)(c1ccc(N)cc1)c1ccc(N)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 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
OPRK1 P41145 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6322890 1.00 NPC1 (0.40) NPC1RAB9ASIGMAR1ADRA2BADRA2C
SCHEMBL6319486 0.85 KMT2A (0.40) NPC1RAB9ASIGMAR1ADRA2BADRA2C
SCHEMBL6319494 0.85 KMT2A (0.40) NPC1RAB9ASIGMAR1ADRA2BADRA2C
SCHEMBL6320347 0.83 POLB (0.49) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL6320349 0.83 POLB (0.49) ADRA2BADRA2CSLC6A2HTR2AADRA1A
SCHEMBL6320365 0.79 HTT (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6320371 0.79 HTT (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6319153 0.77 SMN1; SMN2 (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6319157 0.77 SMN1; SMN2 (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7764630 0.77 RAB9A (0.32) NPC1RAB9AADRA2BADRA2CSLC6A2

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 NPC1 4266/4885RAB9A 1231/4885SIGMAR1 634/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 NPC1 4169/4885RAB9A 1187/4885SIGMAR1 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.