SCHEMBL1331003

SCHEMBL1331003

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NCCc3ccccc3)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
MAPT P10636 3/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
TSHR P16473 1/20 0.66
SCD O00767 2/20 0.65
NPSR1 Q6W5P4 3/20 0.59
TP53 P04637 2/20 0.59
HTT P42858 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
HDAC1 Q13547 3/20 0.52
TBK1 Q9UHD2 1/20 0.51
CKS1B P61024 2/20 0.51
SKP1 P63208 2/20 0.51
SKP2 Q13309 2/20 0.51
GPR119 Q8TDV5 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL1330690 0.90 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL24641499 0.84 DDB1 (0.54) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL1331055 0.84 RAB9A (0.77) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL7703129 0.83 RAB9A (0.75) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL31185132 0.82 TBK1 (0.58) SMN1; SMN2MAPTTSHRNPSR1HTT
SCHEMBL25183161 0.82 TBK1 (0.58) SMN1; SMN2MAPTTSHRNPSR1HTT
SCHEMBL3672660 0.82 RAB9A (0.67) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL26633205 0.81 HRH3 (0.59) SMN1; SMN2MAPTTSHRHDAC1TBK1
SCHEMBL30385900 0.81 HRH3 (0.59) SMN1; SMN2MAPTTSHRHDAC1TBK1
SCHEMBL19580854 0.81 HDAC1 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1LMNA

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-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 US disclosed
EP-2185502-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009019149-A1 PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036452-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 SMN1; SMN2 2022/4885NPC1 1378/4885RAB9A 2200/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 SMN1; SMN2 2022/4885NPC1 1378/4885RAB9A 2200/4885

“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.