SCHEMBL1966098

SCHEMBL1966098

CN(C)C(=O)c1cc(Cl)[c]c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
ERN1 O75460 1/20 0.34
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12221612 0.78 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL3784787 0.77 TPMT (0.46) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL1004039 0.77 TPMT (0.52) ALDH1A1HPGDSMN1; SMN2MAPTTACR2
SCHEMBL1637852 0.76 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4187982 0.76 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL3706966 0.75 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2KMT2ABRD4
SCHEMBL6678353 0.75 CA5A (0.48) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL3029986 0.74 GPBAR1 (0.43) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL9808238 0.72 HSD11B1 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTCYP3A4
SCHEMBL6948936 0.72 TPMT (0.56) ALDH1A1HPGDSMN1; SMN2MAPTLMNA

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
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 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 (1 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 ALDH1A1 1864/4885HPGD 2334/4885SMN1; SMN2 785/4885

“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.