SCHEMBL5751664

SCHEMBL5751664

CCc1n[nH]c(CC)c1Cc1cc(C#N)cc(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.57
TTR P02766 1/20 0.33
CYP2A6 P11509 1/20 0.33
P2RX7 Q99572 2/20 0.32
LMNA P02545 1/20 0.30
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL4610271 0.85 CYP2A6 (0.47) KCNH2CYP2A6P2RX7SLC5A1SLC5A2
SCHEMBL5750895 0.77 KCNH2 (0.42) KCNH2TTRP2RX7SLC5A1SLC5A2
SCHEMBL2717764 0.72 KCNH2 (1.00) KCNH2
SCHEMBL6419682 0.71 NPC1 (0.39) KCNH2TTRP2RX7SLC5A1SLC5A2
SCHEMBL12803437 0.70 CYP2A6 (0.46) KCNH2CYP2A6SLC5A1SLC5A2GHSR
SCHEMBL7118321 0.69 P2RX7 (0.39) KCNH2TTRP2RX7
SCHEMBL13665681 0.69 ALDH1A1 (0.39) KCNH2TTRCYP2A6P2RX7LMNA
SCHEMBL2607125 0.67 CYP2A6 (0.58) KCNH2TTRCYP2A6
SCHEMBL1542913 0.67 LOXL2 (0.41) TTRCYP2A6
SCHEMBL4810817 0.65 KCNH2 (0.83) KCNH2

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 KCNH2 3433/4885TTR 371/4885CYP2A6 195/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 KCNH2 3433/4885TTR 371/4885CYP2A6 195/4885

“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.