SCHEMBL6322166

SCHEMBL6322166

COC(=O)Nc1ccc(C(O)(C[C@H](C)N(Cc2ccccc2)C[C@H](O)COc2ccccc2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.41
ADRB1 P08588 7/20 0.41
ADRB3 P13945 7/20 0.41
NR3C1 P04150 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL6322165 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL6323867 0.91 POLB (0.43) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL6323870 0.91 POLB (0.43) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL6323879 0.88 POLB (0.47) SMN1; SMN2POLBTSHRHSD17B10MAPT
SCHEMBL6323874 0.88 POLB (0.47) SMN1; SMN2POLBTSHRHSD17B10MAPT
SCHEMBL6319157 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTNR3C1
SCHEMBL6319153 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTNR3C1
SCHEMBL6321964 0.86 POLB (0.44) SMN1; SMN2POLBTSHRHSD17B10MAPT
SCHEMBL6321961 0.86 POLB (0.44) SMN1; SMN2POLBTSHRHSD17B10MAPT
SCHEMBL6320803 0.84 POLB (0.43) SMN1; SMN2POLBTSHRMAPTALDH1A1

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 SMN1; SMN2 1593/4885NPC1 4266/4885RAB9A 1231/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 1281/4885NPC1 4169/4885RAB9A 1187/4885

“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.