SCHEMBL3741930

SCHEMBL3741930

O=C(O)CCCCn1c[c]nn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
PTGIR P43119 2/20 0.40
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL3739734 0.95 FABP4 (0.39) TBXAS1FABP4FABP5PTGIRPTGS1
SCHEMBL1712690 0.73 TBXAS1 (0.41) TBXAS1FABP4FABP5PTGIRPTGS1
SCHEMBL10633950 0.69 ALDH1A1 (0.54) TBXAS1PTGIRPTGS1PTGS2LMNA
SCHEMBL5536326 0.69 TBXAS1 (0.49) TBXAS1FABP4FABP5PTGIRPTGS1
SCHEMBL5531435 0.68 TBXAS1 (0.51) TBXAS1FABP4FABP5PTGIRPTGS1
SCHEMBL5538144 0.68 TBXAS1 (0.51) TBXAS1FABP4FABP5PTGIRPTGS1
Hydrochloric Acid SCHEMBL10640131 0.68 ALDH1A1 (0.52) TBXAS1PTGIRPTGS1PTGS2LMNA
SCHEMBL5536313 0.68 TBXAS1 (0.51) TBXAS1FABP4FABP5PTGIRPTGS1
SCHEMBL5533757 0.68 TBXAS1 (0.51) TBXAS1FABP4FABP5PTGIRPTGS1
SCHEMBL5538968 0.68 TBXAS1 (0.51) TBXAS1FABP4FABP5PTGIRPTGS1

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 TBXAS1 2773/4885FABP4 4174/4885FABP5 2793/4885
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 TBXAS1 58/4885FABP4 4785/4885FABP5 4829/4885

“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.