SCHEMBL6138323

SCHEMBL6138323

NC(=O)C1(N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL10002524 0.91 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL30562291 0.91 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL5633342 0.91 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL28650457 0.91 ALDH1A1 (0.54) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL26113275 0.90 ALDH1A1 (0.49) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL12894215 0.85 POLB (0.52) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL8177031 0.85 ALDH1A1 (0.46) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL6543859 0.83 ALDH1A1 (0.49) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL12227073 0.83 POLB (0.55) ALDH1A1TP53TSHRHTTPOLB
SCHEMBL1127702 0.83 ALDH1A1 (0.49) ALDH1A1TP53TSHRHTTPOLB

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-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP disclosed
US-6943184-B2 1,1- and 1,2-disubstituted cyclopropane compounds LES LABORATORIES SERVIER (FR) 2005-09-13 US disclosed
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds GOLDSTEIN SOLO (FR) 2005-02-10 US disclosed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 US disclosed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 EP 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-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds CHRNA1, CHRNA4, CHRNB1 ALDH1A1 582/4885TP53 4784/4885TSHR 201/4885
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds HCAR1, CHRNA1, CNR1 ALDH1A1 575/4885TP53 4752/4885TSHR 260/4885

“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.