SCHEMBL5749688

SCHEMBL5749688

Cc1c(Cc2cccc(Cl)c2)c(C(C)C)nn1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
CCR5 P51681 1/20 0.47
PTGDR2 Q9Y5Y4 8/20 0.47
PDE5A O76074 1/20 0.43
PDE9A O76083 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
FPR1 P21462 2/20 0.42
FPR2 P25090 2/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER4 P35408 3/20 0.41
PTGER2 P43116 3/20 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
SCHEMBL5750478 0.88 CCR2 (0.44) CCR2CCR5PTGDR2SLC22A12
SCHEMBL5751442 0.87 PTGDR2 (0.48) PTGDR2SLC22A12FPR1FPR2KMT2A
SCHEMBL5749533 0.83 CCR2 (0.47) CCR2CCR5PDE5APDE9APDE1A
SCHEMBL5751512 0.81 CCR2 (0.44) CCR2CCR5PTGDR2PDE5APDE9A
SCHEMBL5751766 0.80 PTGDR2 (0.41) PTGDR2SLC22A12
SCHEMBL5749456 0.71 ADCY10 (0.41) CCR2CCR5PTGDR2FPR1SMN1; SMN2
SCHEMBL5750247 0.70 CCR2 (0.43) CCR2CCR5PTGDR2SLC22A12KMT2A
SCHEMBL5755246 0.70 CCR2 (0.41) CCR2CCR5PTGDR2
SCHEMBL24077127 0.69 NLRP3 (0.48) PTGDR2KMT2A
SCHEMBL5751848 0.69 CCR2 (0.40) CCR2CCR5PTGDR2KCNJ6KCNJ5

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
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP claimed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP claimed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO claimed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US claimed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 WO claimed
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 CCR2 4197/4885CCR5 2111/4885PTGDR2 2690/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 CCR2 4197/4885CCR5 2111/4885PTGDR2 2690/4885

“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.