SCHEMBL1634085

SCHEMBL1634085

CCOC(=O)C1CC12CCC(C(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
MAPT P10636 4/20 0.35
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.33
FKBP1A P62942 2/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL16369922 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1634121 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1635627 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1634765 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1634763 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL24145954 0.78 MAPT (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL30110937 0.78 PPM1B (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL23797512 0.78 MAPT (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL30110797 0.77 PPM1B (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL3464942 0.77 TSHR (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932245-B2 Spirocyclopropyl amides and acids and their therapeutic applications ABBOTT LABORATORIES (US) 2011-04-26 US disclosed
EP-1558230-B1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBVIE INC. 2004-10-14 US disclosed
US-20040077616-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 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-20040077616-A1 Spirocyclopropyl amides and acids and their therapeutic applications SCN1A, SCN1B, SCN10A ALDH1A1 85/4885CYP3A4 1668/4885CYP2C9 770/4885
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications SCN1A, SCN1B, SCN10A ALDH1A1 85/4885CYP3A4 1668/4885CYP2C9 770/4885

“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.