SCHEMBL6326374

SCHEMBL6326374

Nc1ccc(C(O)(CCN(Cc2ccccc2)Cc2ccccc2)c2ccc(N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 4/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BCL2 P10415 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 2/20 0.39
BACE1 P56817 1/20 0.38
NR1H2 P55055 1/20 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
SCHEMBL6320217 0.84 SMN1; SMN2 (0.46) SMN1; SMN2SIGMAR1MEN1KMT2ACHRM2
SCHEMBL7148205 0.84 MEN1 (0.48) SMN1; SMN2SIGMAR1MEN1KMT2AMAOB
SCHEMBL6320470 0.81 CALM1 (0.47) SMN1; SMN2SIGMAR1MEN1KMT2AOPRK1
SCHEMBL7608480 0.80 L3MBTL1 (0.52) SMN1; SMN2MAOBBCL2MAPTMAOA
SCHEMBL11125959 0.77 SMN1; SMN2 (0.57) SMN1; SMN2SIGMAR1MEN1KMT2ACHRM2
SCHEMBL3154447 0.75 HTT (0.61) MEN1KMT2AMAOBMAPTMAOA
SCHEMBL7024973 0.75 MEN1 (0.48) SMN1; SMN2SIGMAR1MEN1KMT2AMAOB
SCHEMBL5347146 0.74 CYP2C9 (0.56) SMN1; SMN2MEN1KMT2AMAOBMAPT
SCHEMBL3156612 0.73 MAOB (0.62) SMN1; SMN2MAOBHTR2AMAPTMAOA
SCHEMBL15391387 0.73 MAOB (0.62) SMN1; SMN2MAOBHTR2AMAPTMAOA

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 5 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
US-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 US disclosed
EP-1257528-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-20 EP disclosed
WO-2001060786-A1 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO 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 (3 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 1593/4885SIGMAR1 634/4885MEN1 3533/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SMN1; SMN2 1281/4885SIGMAR1 465/4885MEN1 3327/4885
US-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 SMN1; SMN2 3568/4885SIGMAR1 82/4885MEN1 4166/4885

“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.