SCHEMBL3116602

SCHEMBL3116602

O=C(NCc1ccccc1)C(CCl)(CCl)CCl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.57
MMP8 P22894 3/20 0.53
GAA P10253 1/20 0.50
OPRK1 P41145 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 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
SCHEMBL181282 0.81 RIPK1 (0.61) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL4765237 0.77 RIPK1 (0.61) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL1516186 0.77 RIPK1 (0.71) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL30471275 0.77 RIPK1 (0.61) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL28707389 0.76 RIPK1 (0.59) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL16644093 0.76 RIPK1 (0.69) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL432436 0.76 RIPK1 (0.69) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL10990271 0.75 RIPK1 (0.68) RIPK1MMP8GAAOPRK1SMN1; SMN2
SCHEMBL16714720 0.75 GAA (0.66) GAASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2636120 0.75 GAA (0.66) GAASMN1; SMN2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256109-A1 Azetidines As EP2 Antagonists SKERRATT SARAH ELIZABETH 2010-10-07 US disclosed
US-20100256109-A1 Azetidines As EP2 Antagonists SKERRATT SARAH ELIZABETH 2010-10-07 US disclosed
US-20100256109-A1 Azetidines As EP2 Antagonists SKERRATT SARAH ELIZABETH 2010-10-07 US disclosed
EP-2222665-A1 AZETIDINES AS EP2 ANTAGONISTS Pfizer Limited (GB) 2010-09-01 EP disclosed
WO-2009063365-A1 AZETIDINES AS EP2 ANTAGONISTS PFIZER LIMITED (GB) 2009-05-22 WO disclosed
WO-2009063365-A1 AZETIDINES AS EP2 ANTAGONISTS PFIZER LIMITED (GB) 2009-05-22 WO disclosed
WO-2008139287-A1 AZETIDINE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN E2 ANTAGONISTS PFIZER LIMITED (GB) 2008-11-20 WO disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 US disclosed
US-20080280877-A1 Azetidines PFIZER INC 2008-11-13 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 (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-20100256109-A1 Azetidines As EP2 Antagonists PTGER2, PTGER1, PTGDR2 RIPK1 4277/4885MMP8 2299/4885GAA 4531/4885
US-20080280877-A1 Azetidines PTGER2, PTGER1, PTGDR2 RIPK1 4559/4885MMP8 1836/4885GAA 4681/4885

“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.