SCHEMBL3540440

SCHEMBL3540440

O=C(O)N1CCC[C@@H]1C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
FABP4 P15090 1/20 0.43
CYP2D6 P10635 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
RIPK1 Q13546 1/20 0.40
DUT P33316 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
SCHEMBL5177302 1.00 DPP4 (0.46) DPP4FABP4CYP2D6LMNAHTT
SCHEMBL3076592 0.95 LMNA (0.44) DPP4LMNAKDM4ETSHR
SCHEMBL3076594 0.95 LMNA (0.44) DPP4LMNAKDM4ETSHR
SCHEMBL3533488 0.94 TSHR (0.45) DPP4LMNACHRM3KDM4ETSHR
SCHEMBL28381807 0.90 CYP2D6 (0.41) DPP4CYP2D6LMNAHTTCYP2C9
SCHEMBL4725342 0.87 HPGD (0.41) SMN1; SMN2TSHR
SCHEMBL23236423 0.86 DPP4 (0.38) DPP4CYP2D6CYP1A2TSHR
SCHEMBL4777579 0.83 HSD17B2 (0.43) FABP4LMNAKDM4E
SCHEMBL3533635 0.83 DPP4 (0.51) DPP4CYP2D6LMNAHTTHSD17B10
SCHEMBL3533638 0.83 DPP4 (0.51) DPP4CYP2D6LMNAHTTHSD17B10

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
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 WO disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (3 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 DPP4 245/4885FABP4 209/4885CYP2D6 114/4885
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 DPP4 4797/4885FABP4 4399/4885CYP2D6 4579/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 DPP4 4797/4885FABP4 4399/4885CYP2D6 4579/4885

“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.