SCHEMBL19701972

SCHEMBL19701972

CCC(=O)N1CCN(c2cccc(C(C)C)c2)C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
MGLL Q99685 1/20 0.40
OPRM1 P35372 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM1 P11229 1/20 0.38
PIK3CD O00329 3/20 0.38
ESR1 P03372 1/20 0.38
BLM P54132 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADAM10 O14672 1/20 0.37
HPGD P15428 1/20 0.36
PANK3 Q9H999 1/20 0.36
EPHX2 P34913 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL19701949 0.86 PIK3CD (0.47) NOTUMMGLLTSHRMAPK1PIK3CD
SCHEMBL19701975 0.84 PIK3CD (0.43) NOTUMMGLLLMNATSHRMAPK1
SCHEMBL19710647 0.84 TSHR (0.44) MGLLOPRM1LMNATSHRNPSR1
SCHEMBL19701971 0.83 PIK3CD (0.42) NOTUMMGLLTSHRMAPK1PIK3CD
SCHEMBL19710648 0.83 OPRM1 (0.41) MGLLOPRM1LMNACHRM1PIK3CD
SCHEMBL19701973 0.74 PIK3CD (0.39) NOTUMTSHRMAPK1RECQLNPSR1
SCHEMBL19701974 0.73 PIK3CD (0.48) NOTUMTSHRMAPK1PIK3CDESR1
SCHEMBL19710839 0.71 PIK3CD (0.44) NOTUMMGLLLMNAMAPK1PIK3CD
SCHEMBL27405111 0.70 DRD2 (0.41) NOTUMESR1DRD2DRD3KCNH2
SCHEMBL19710656 0.69 PIK3CD (0.48) NOTUMMGLLLMNAMAPK1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 NOTUM 3221/4885MGLL 4092/4885OPRM1 2649/4885

“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.