SCHEMBL3916348

SCHEMBL3916348

CCN(C(=O)O)C(=S)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
RIPK1 Q13546 1/20 0.36
CXCR3 P49682 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.32
RAB9A P51151 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
SCHEMBL3918988 0.86 ATM (0.43) ATMRIPK1CXCR3SIGMAR1ALDH1A1
SCHEMBL3923623 0.85 ATM (0.44) ATMRIPK1CXCR3SIGMAR1ALDH1A1
SCHEMBL4032393 0.84 SIGMAR1 (0.39) ATMRIPK1CXCR3SIGMAR1ALDH1A1
SCHEMBL5151456 0.82 CYP2C9 (0.44) ATMRIPK1SIGMAR1ALDH1A1KDM4E
SCHEMBL2939186 0.81 ATM (0.43) ATMRIPK1CXCR3SIGMAR1ALDH1A1
SCHEMBL1799713 0.79 RIPK1 (0.46) ATMRIPK1SIGMAR1ALDH1A1KDM4E
SCHEMBL1800386 0.79 NPC1 (0.41) ATMRIPK1SIGMAR1ALDH1A1KDM4E
SCHEMBL4032741 0.79 ATM (0.44) ATMRIPK1CXCR3SIGMAR1ALDH1A1
SCHEMBL4038603 0.79 ATM (0.42) ATMRIPK1CXCR3SIGMAR1ALDH1A1
SCHEMBL1803348 0.79 GRM5 (0.43) ATMRIPK1SIGMAR1ALDH1A1POLB

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-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 ATM 3799/4885RIPK1 4723/4885CXCR3 4672/4885

“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.