SCHEMBL8259232

SCHEMBL8259232

CC(C)(C)OC(=O)NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 5/20 0.51
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4403545 0.88 NAMPT (0.64) NAMPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6377029 0.84 NAMPT (0.59) NAMPTKMT2ASMN1; SMN2LMNAEPHX2
SCHEMBL4715420 0.82 KMT2A (0.61) KMT2AMEN1SMN1; SMN2LMNAEPHX2
SCHEMBL646929 0.81 NAMPT (0.64) NAMPTKMT2AMEN1EPHX2POLB
SCHEMBL16825781 0.79 CA12 (0.70) SMN1; SMN2EPHX2ALDH1A1HTTMAPT
SCHEMBL3108407 0.78 CNR1 (0.55) KMT2AMEN1SMN1; SMN2HTTNPSR1
SCHEMBL31205836 0.78 DRD2 (0.50) NAMPTKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL10189872 0.78 MEN1 (0.64) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL8250635 0.77 USP14 (0.46) NAMPTKMT2A
SCHEMBL4103804 0.77 USP14 (0.46) NAMPTKMT2AMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
US-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor BRYANS JUSTIN S 2007-09-27 US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 WO disclosed
WO-2005105779-A1 3-HETEROCYCLYL-4-PHENYL-TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN V1A RECEPTOR PFIZER LIMITED (GB) 2005-11-10 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-20070225333-A1 3-Heterocyclyl-4-Phenyl-Triazole Derivatives as Inhibitors of the Vasopressin Via Receptor AVPR2, RXFP3, AVPR1A NAMPT 3856/4885KMT2A 4644/4885MEN1 2015/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 NAMPT 4319/4885KMT2A 1922/4885MEN1 476/4885

“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.