SCHEMBL4715217

SCHEMBL4715217

CC(C)c1noc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
CHRM4 P08173 1/20 0.53
CCR5 P51681 1/20 0.48
KCNH2 Q12809 1/20 0.48
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GPR119 Q8TDV5 4/20 0.43
SCN9A Q15858 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 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
SCHEMBL12069832 0.82 EPHX2 (0.51) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL19454430 0.82 EPHX2 (0.50) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL5634920 0.81 EPHX2 (0.57) EPHX2CCR5SMN1; SMN2LMNATSHR
SCHEMBL12050017 0.80 CNR2 (0.52) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL5635609 0.80 GRM5 (0.46) EPHX2CHRM4SMN1; SMN2LMNATSHR
SCHEMBL9963213 0.79 CNR2 (0.49) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL12026465 0.79 CNR2 (0.51) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL15025228 0.79 CNR2 (0.51) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL19450751 0.79 CNR2 (0.51) EPHX2CHRM4CCR5KCNH2CNR2
SCHEMBL1834764 0.78 SMYD3 (0.46) EPHX2SMN1; SMN2LMNATSHRSMYD3

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 3 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
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 EP disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 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 (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-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 EPHX2 2843/4885CHRM4 558/4885CCR5 1132/4885

“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.