SCHEMBL4694055

SCHEMBL4694055

COCOCC(CCC1(CCN2CCC(Nc3ccc(C)cn3)CC2)CCCCC1)COCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.39
CCNK O75909 2/20 0.33
CDK12 Q9NYV4 2/20 0.33
P2RX3 P56373 1/20 0.33
KDM1A O60341 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
PDE10A Q9Y233 1/20 0.31
OPRK1 P41145 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNA2 P20248 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30
CYP11B1 P15538 1/20 0.30

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
SCHEMBL4690012 0.98 CCR6 (0.38) CCR6CCNKCDK12P2RX3KDM1A
SCHEMBL4691082 0.86 CCR6 (0.39) CCR6CCNKCDK12P2RX3KDM1A
SCHEMBL4690523 0.82 CCR6 (0.45) CCR6CCNKCDK12P2RX3KDM1A
SCHEMBL13980741 0.82 CCR6 (0.46) CCR6CCNKCDK12P2RX3KDM1A
SCHEMBL13980739 0.81 CCR6 (0.47) CCR6CCNKCDK12P2RX3KDM1A
SCHEMBL4692641 0.80 CCR6 (0.41) CCR6CCNKCDK12KDM1AFPR3
SCHEMBL1844643 0.80 CCR6 (0.43) CCR6CCNKCDK12KDM1AFPR3
SCHEMBL4687121 0.78 CCR6 (0.41) CCR6CCNKCDK12KDM1AFPR3
SCHEMBL4687972 0.77 CCR6 (0.42) CCR6CCNKCDK12KDM1AFPR3
SCHEMBL4687170 0.76 CACNA2D1 (0.40) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 CCR6 3265/4885CCNK 472/4885CDK12 201/4885

“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.