SCHEMBL5047667

SCHEMBL5047667

O=C(c1cccs1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
KMT2A Q03164 2/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DAO P14920 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8072397 0.79 NPC1 (0.47) HSD11B1ALDH1A1CYP3A4KMT2ACES2
SCHEMBL6092587 0.73 ALDH1A1 (0.51) HSD11B1ALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL15029035 0.72 ALDH1A1 (0.56) HSD11B1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7050756 0.71 ALDH1A1 (0.57) HSD11B1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3751786 0.70 KDM4E (0.57) HSD11B1ALDH1A1KMT2AKDM4ENPC1
SCHEMBL16065784 0.70 HCAR2 (0.53) HSD11B1ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL6092588 0.70 HCAR2 (0.53) HSD11B1ALDH1A1CYP3A4KMT2AMEN1
SCHEMBL1578178 0.70 ALDH1A1 (0.54) ALDH1A1CYP3A4KMT2AKDM4EMEN1
SCHEMBL3318318 0.69 HSD11B1 (0.51) HSD11B1ALDH1A1CYP3A4KMT2AKDM4E
SCHEMBL27837991 0.68 KMT2A (0.62) HSD11B1ALDH1A1KMT2AKDM4EMEN1

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-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 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 (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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 HSD11B1 2752/4885ALDH1A1 727/4885CYP3A4 271/4885

“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.