SCHEMBL3739734

SCHEMBL3739734

O=C(O)CCCn1c[c]nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.39
FABP5 Q01469 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
PTGIR P43119 1/20 0.35
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
TBXAS1 P24557 2/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL3741930 0.95 TBXAS1 (0.40) FABP4FABP5KDM4ETSHRHSD17B10
SCHEMBL3739654 0.89 EGLN3 (0.44) FABP4FABP5KDM4ETSHRMAPK1
SCHEMBL3742411 0.76
SCHEMBL1712283 0.72 EGLN3 (0.39) FABP4FABP5KDM4ETSHRCYP1A2
SCHEMBL3746284 0.70 TBXAS1 (0.38) FABP4FABP5KDM4ETSHRHSD17B10
SCHEMBL5440246 0.68 TBXAS1 (0.42) FABP4FABP5KDM4ETSHRHSD17B10
SCHEMBL6373759 0.68 ALDH1A1 (0.56) KDM4EMAPK1LMNAEGLN3TBXAS1
SCHEMBL5982130 0.67 TBXAS1 (0.45) FABP4FABP5KDM4ETSHRHSD17B10
SCHEMBL1712690 0.67 TBXAS1 (0.41) FABP4FABP5TSHRLMNASLC22A6
Hydrochloric Acid SCHEMBL10639827 0.67 ALDH1A1 (0.54) MAPK1LMNAEGLN3TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 US claimed
EP-4269400-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Molecure SA (PL) 2023-11-01 EP claimed
US-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS MOLECURE S.A. (PL) 2023-11-02 US disclosed
EP-4269400-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS Molecure SA (PL) 2023-11-01 EP disclosed
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 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-20230348516-A1 YKL-40 INHIBITORS AND THEIR THERAPEUTIC APPLICATIONS CHI3L1, CHI3L2, CHIA FABP4 4174/4885FABP5 2793/4885KDM4E 1326/4885
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 FABP4 4785/4885FABP5 4829/4885KDM4E 2289/4885

“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.