SCHEMBL19702000

SCHEMBL19702000

CC(C)c1cccc(N2CCN(C)C(C)(C)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ NOTUM Q6P988 2/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ PIK3CD O00329 4/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 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
SCHEMBL19710696 0.83 DRD2 (0.44) DRD2DRD3KCNH2NOTUMESR1
SCHEMBL19701994 0.82 PIK3CD (0.50) PIK3CD
SCHEMBL19711221 0.81 DRD2 (0.48) DRD2DRD3KCNH2MAPT
SCHEMBL19701996 0.81 DRD2 (0.44) DRD2DRD3KCNH2NOTUMALDH1A1
SCHEMBL22055646 0.79 RAB9A (0.52) DRD2DRD3KCNH2HDAC8KDM4E
SCHEMBL19701984 0.77 PIK3CD (0.47) DRD2DRD3KCNH2NOTUMALDH1A1
SCHEMBL21349070 0.77 DRD2 (0.60) DRD2DRD3KCNH2NOTUMALDH1A1
SCHEMBL16786522 0.75 DRD2 (0.50) DRD2DRD3KCNH2NOTUMALDH1A1
SCHEMBL22797019 0.73 DRD2 (0.49) DRD2DRD3KCNH2NOTUMALDH1A1
SCHEMBL21348448 0.72 DRD2 (0.55) DRD2DRD3KCNH2NOTUMALDH1A1

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 1 patent. 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

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 DRD2 852/4885DRD3 179/4885KCNH2 522/4885

“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.

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