SCHEMBL2038451

SCHEMBL2038451

CCCN1CCC(N)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.45
DPP4 P27487 3/20 0.41
FKBP1A P62942 1/20 0.36
PIK3CD O00329 1/20 0.35
CYP19A1 P11511 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL2038447 1.00 CYP3A4 (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL12251962 1.00 CYP3A4 (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL14275833 0.89 MAPT (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL15130648 0.89 MAPT (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL15130699 0.87 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4701570 0.87 CYP3A4 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL9255336 0.83
SCHEMBL318757 0.83
SCHEMBL16190279 0.83
SCHEMBL30877547 0.82 CYP3A4 (0.47) CYP3A4TSHRTDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
EP-0473585-A4 ADHESIVE COMPOSITION 1993-02-17 EP disclosed
EP-0521934-A4 COPOLYMERS OF MALEIC ANHYDRIDE AND ACRYLIC ACID USEFUL IN DENTURE ADHESIVES 1993-02-17 EP disclosed
EP-0517863-A4 TERPOLYMERS OF MALEIC ANHYDRIDE, C 1?-C 5? ALKYL VINYL ETHER AND ISOBUTYLENE OR A C 12?-C 14? ALPHA-OLEFIN, AND CROSSLINKED PRODUCTS THEREOF 1993-01-27 EP disclosed
EP-0521934-A1 COPOLYMERS OF MALEIC ANHYDRIDE AND ACRYLIC ACID USEFUL IN DENTURE ADHESIVES ISP INVESTMENTS INC. (US) 1993-01-13 EP disclosed
EP-0517863-A1 TERPOLYMERS OF MALEIC ANHYDRIDE, C 1?-C 5? ALKYL VINYL ETHER AND ISOBUTYLENE OR A C 12?-C 14? ALPHA-OLEFIN, AND CROSSLINKED PRODUCTS THEREOF ISP INVESTMENTS INC. (US) 1992-12-16 EP disclosed
EP-0473585-A1 ADHESIVE COMPOSITION ISP INVESTMENTS INC. (US) 1992-03-11 EP disclosed
WO-1992001724-A1 TERPOLYMERS OF MALEIC ANHYDRIDE, C1-C5 ALKYL VINYL ETHER AND ISOBUTYLENE OR A C12-C14 ALPHA-OLEFIN, AND CROSSLINKED PRODUCTS THEREOF ISP INVESTMENTS INC. (US) 1992-02-06 WO disclosed
WO-1991014716-A1 COPOLYMERS OF MALEIC ANHYDRIDE AND ACRYLIC ACID USEFUL IN DENTURE ADHESIVES ISP INVESTMENTS INC. (US) 1991-10-03 WO disclosed
WO-1990011325-A1 ADHESIVE COMPOSITION GAF CHEMICALS CORPORATION (US) 1990-10-04 WO 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 CYP3A4 481/4885TSHR 1660/4885TDP1 2768/4885

“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.