SCHEMBL5216018

SCHEMBL5216018

ClCc1nnc(CN2CCOCC2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
PIK3CG P48736 1/20 0.42
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
CYP2A13 Q16696 4/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL21099545 0.79 KDM4E (0.43) HRH3PIK3CGCXCR4ALDH1A1RAB9A
SCHEMBL13631416 0.78 SMN1; SMN2 (0.43) HRH3PIK3CGCXCR4ALDH1A1RAB9A
SCHEMBL15703566 0.78 PIK3CG (0.42) HRH3PIK3CGCXCR4ALDH1A1RAB9A
SCHEMBL23023786 0.74 PIK3CG (0.42) HRH3PIK3CGCXCR4ALDH1A1RAB9A
SCHEMBL5212793 0.74 MEN1 (0.50) PIK3CGALDH1A1POLBKCNH2SMN1; SMN2
SCHEMBL11218649 0.70 SMN1; SMN2 (0.38) PIK3CGCXCR4ALDH1A1RAB9ANPC1
SCHEMBL8353745 0.70 PIK3CG (0.35) HRH3PIK3CGCXCR4ALDH1A1POLB
SCHEMBL5215034 0.69 MAPT (0.64) ALDH1A1RAB9ANPC1KCNH2SMN1; SMN2
SCHEMBL14078255 0.68 RAB9A (0.58) HRH3PIK3CGALDH1A1RAB9ANPC1
SCHEMBL5117811 0.68 MAPT (0.56) HRH3PIK3CGALDH1A1RAB9APOLB

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
EP-1558598-B1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LTD (GB) 2007-07-18 EP disclosed
US-7084145-B2 Triazole compounds useful in therapy PFIZER INC. (US) 2006-08-01 US disclosed
EP-1558598-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA Pfizer Limited (GB) 2005-08-03 EP disclosed
US-20040162278-A1 Triazole compounds useful in therapy PFIZER INC 2004-08-19 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 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-20040162278-A1 Triazole compounds useful in therapy AVPR2, AVPR1B, AVPR1A HRH3 220/4885PIK3CG 4250/4885CXCR4 896/4885

“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.