SCHEMBL696591

SCHEMBL696591

OCCCCCn1ccc2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.52
HTR2C P28335 2/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.49
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 2/20 0.43
MCL1 Q07820 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KMO O15229 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL25310301 0.87 HTR2C (0.55) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL5237341 0.83 HTR2C (0.55) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL14155057 0.83 HTR2C (0.55) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL9994959 0.83 P2RX7 (0.53) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL5792293 0.83 P2RX7 (0.53) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL5235415 0.81 HTR2C (0.56) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL5635097 0.81 HTR2C (0.53) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL8434667 0.81 HTR2C (0.56) P2RX7HTR2CHTR2AHTR7CDK4
SCHEMBL419751 0.79 KMO (0.57) P2RX7HTR2CHTR2AHTR7MCL1
SCHEMBL13034167 0.78 HTR2C (0.45) P2RX7HTR2CHTR2AHTR7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885HTR2C 613/4885HTR2A 1679/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885HTR2C 613/4885HTR2A 1679/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885HTR2C 613/4885HTR2A 1679/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885HTR2C 613/4885HTR2A 1679/4885

“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.