SCHEMBL1635113

SCHEMBL1635113

CC1(C)C2CCC(C2)C12CC2C(=O)NCC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA7 P36544 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNA1 P02708 3/20 0.33
CHRNG P07510 3/20 0.33
CHRNB1 P11230 3/20 0.33
CHRND Q07001 3/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
CHRNE Q04844 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
SCHEMBL1635614 0.77 CHRNB2 (0.36) NPSR1KDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL6711096 0.74 FPR3 (0.32) ALDH1A1TSHRTDP1
SCHEMBL1634461 0.72 CHRNB2 (0.38) NPSR1KDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL1635617 0.71 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1633708 0.70 FPR3 (0.31)
SCHEMBL3340024 0.68 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1634827 0.68 GAA (0.32)
SCHEMBL1634027 0.68 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL1634519 0.68 CYP3A4 (0.40) NPSR1KDM4EALDH1A1LMNACYP3A4
SCHEMBL1634348 0.65 LMNA (0.37) ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558230-B1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBVIE INC. 2004-10-14 US claimed
US-20040077616-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US claimed
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
EP-1558230-A1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2005-08-03 EP disclosed
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications ABBVIE INC. 2004-10-14 US disclosed
WO-2004037240-A1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2004-05-06 WO 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 NPSR1 338/4885KDM4E 3906/4885ALDH1A1 85/4885
US-20040204396-A1 Spirocyclopropyl amides and acids and their therapeutic applications SCN1A, SCN1B, SCN10A NPSR1 338/4885KDM4E 3906/4885ALDH1A1 85/4885

“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.