SCHEMBL4795708

SCHEMBL4795708

CC(C)(C)OC(=O)N[C@]1(CO)CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.57
NPFFR2 Q9Y5X5 6/20 0.57
CYP2D6 P10635 6/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPIA P62937 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
P4HB P07237 1/20 0.41

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
SCHEMBL4295050 1.00 NPFFR1 (0.57) NPFFR1NPFFR2CYP2D6TSHRCYP3A4
SCHEMBL17606484 0.93 NPFFR1 (0.61) NPFFR1NPFFR2CYP2D6CYP3A4ALDH1A1
SCHEMBL1770778 0.91 NPFFR1 (0.57) NPFFR1NPFFR2CYP2D6TSHRCYP3A4
SCHEMBL13738215 0.91 NPFFR1 (0.57) NPFFR1NPFFR2CYP2D6TSHRCYP3A4
SCHEMBL31447501 0.89 NPFFR1 (0.55) NPFFR1NPFFR2CYP2D6TSHRCYP3A4
SCHEMBL27929854 0.89 NPFFR1 (0.48) NPFFR1NPFFR2PPIASIGMAR1
SCHEMBL27947092 0.89 NPFFR1 (0.48) NPFFR1NPFFR2PPIASIGMAR1
SCHEMBL24347013 0.88 NPFFR1 (0.54) NPFFR1NPFFR2CYP2D6TSHRCYP3A4
SCHEMBL15774951 0.88 NPFFR1 (0.54) NPFFR1NPFFR2CYP2D6TSHRCYP3A4
SCHEMBL6703813 0.86 NPFFR1 (0.61) NPFFR1NPFFR2CYP2D6CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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 (2 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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 NPFFR1 2024/4885NPFFR2 2070/4885CYP2D6 1089/4885
US-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 NPFFR1 1407/4885NPFFR2 2316/4885CYP2D6 834/4885

“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.