SCHEMBL17326795

SCHEMBL17326795

CC(=O)C1CN(c2ccc(C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ADRB1 P08588 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL30455625 0.82 NOTUM (0.58) TSHRMAPK1SMN1; SMN2KMT2ARAB9A
SCHEMBL21097704 0.81 GPR119 (0.51) AKR1C3MAPK1SMN1; SMN2ADRB1MAPT
SCHEMBL17322964 0.80 ACACB (0.48) MAPK1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL17326796 0.80 AKR1C3 (0.41) AKR1C3TSHRMAPK1SMN1; SMN2ADRB1
SCHEMBL17326843 0.80 NAMPT (0.49) AKR1C3TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL1309976 0.77 MAPT (0.42) AKR1C3SMN1; SMN2ADRB1MAPTLMNA
SCHEMBL17326793 0.76 L3MBTL1 (0.42) AKR1C3TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL20217190 0.75 ADRB1 (0.47) AKR1C3TSHRMAPK1SMN1; SMN2ADRB1
SCHEMBL25890156 0.75 MAPT (0.40) AKR1C3TSHRMAPK1SMN1; SMN2ADRB1
SCHEMBL19801268 0.75 NOTUM (0.73) NOTUM

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK AKR1C3 1038/4885TSHR 3127/4885MAPK1 56/4885

“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.