SCHEMBL10099552

SCHEMBL10099552

CC(C)CCNC(=O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 4/20 0.67
LMNA P02545 5/20 0.64
CYP1A2 P05177 2/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
MAOB P27338 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
ALDH1A1 P00352 2/20 0.55
ALOX12 P18054 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
GFER P55789 1/20 0.54

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
SCHEMBL17887994 0.91 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL10005048 0.89 GPR139 (0.58) SMN1; SMN2RAB9ANPC1LMNACYP1A2
SCHEMBL10099538 0.87 HDAC3 (0.61) SMN1; SMN2RAB9ANPC1LMNACYP1A2
SCHEMBL6570929 0.84 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL17301589 0.84 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1LMNACYP1A2
SCHEMBL24648929 0.84 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL14297350 0.84 NPC1 (0.69) SMN1; SMN2RAB9ANPC1LMNAMEN1
SCHEMBL9584535 0.83 CYP1A2 (0.78) SMN1; SMN2RAB9ANPC1LMNACYP1A2
SCHEMBL26766869 0.83 RAB9A (0.65) SMN1; SMN2RAB9ANPC1LMNACYP1A2
SCHEMBL10494518 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193728-B2 Fused tetracyclic pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-24 US disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 US disclosed
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-8093227-B2 Monosaccharide compounds and methods therefor ALCHEMIA PTY LTD (AU) 2012-01-10 US disclosed
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR ALCHEMIA PTY LTD. (AU) 2010-07-22 US disclosed
US-7417129-B2 Combinatorial libraries of monosaccharides ALCHEMIA PTY LTD (AU) 2008-08-26 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 (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-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C SMN1; SMN2 3057/4885RAB9A 648/4885NPC1 2839/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C SMN1; SMN2 3057/4885RAB9A 648/4885NPC1 2839/4885
US-20100184607-A1 MONOSACCHARIDE COMPOUNDS AND METHODS THEREFOR SLC5A1, UGGT1, MRPL21 SMN1; SMN2 3629/4885RAB9A 3533/4885NPC1 969/4885

“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.