SCHEMBL17322976

SCHEMBL17322976

CCC(=O)N1CCN(c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 3/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 5/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
PDK2 Q15119 1/20 0.50

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
SCHEMBL12781894 0.88 POLB (0.73) POLBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL31642475 0.88 POLB (0.73) POLBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL762466 0.82 MAPT (0.58) POLBCYP2C19ALDH1A1LMNAMAPT
SCHEMBL12377877 0.81 TSHR (0.61) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4776950 0.81 ALDH1A1 (0.73) KMT2AMEN1NPSR1TSHRALDH1A1
SCHEMBL19002446 0.81 DRD2 (0.60) KMT2AMEN1NPSR1TSHRALDH1A1
SCHEMBL23643753 0.81 LMNA (0.52) POLBKMT2AMEN1CYP1A2CYP3A4
SCHEMBL19002651 0.80 ADAMTS5 (0.58) POLBKMT2AMEN1NPSR1TSHR
SCHEMBL22892232 0.80 ALDH1A1 (0.53) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL22828073 0.80 GPR119 (0.59) POLBNPSR1TSHRALDH1A1LMNA

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 POLB 2890/4885KMT2A 1713/4885MEN1 2476/4885

“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.