SCHEMBL697585

SCHEMBL697585

Cc1ccccc1Cn1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.53
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.40
P2RX7 Q99572 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
LMNA P02545 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
SCHEMBL698465 0.91 ADRA2C (0.44) ADRA2CCYP11B1CYP11B2TDP1KMT2A
SCHEMBL698377 0.90 ADRA2C (0.44) ADRA2CTDP1KMT2AHSP90AA1HSP90B1
SCHEMBL699063 0.89 ADRA2C (0.42) ADRA2CTDP1KMT2AALDH1A1TSHR
SCHEMBL697166 0.88 TDP1 (0.51) ADRA2CTDP1KMT2AP2RX7ALDH1A1
SCHEMBL697526 0.87 CYP19A1 (0.41) ADRA2CTDP1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL697472 0.87 ADRA2C (0.41) ADRA2CTDP1KMT2AP2RX7ALDH1A1
SCHEMBL696289 0.87 TDP1 (0.54) ADRA2CTDP1KMT2ALMNA
SCHEMBL695900 0.87 TDP1 (0.54) ADRA2CTDP1KMT2ALMNA
SCHEMBL697058 0.87 ADRA2C (0.40) ADRA2CTDP1KMT2AP2RX7ALDH1A1
SCHEMBL696351 0.86 CYP2D6 (0.45) ADRA2CTDP1KMT2AP2RX7TSHR

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 ADRA2C 144/4885CYP11B1 68/4885CYP11B2 40/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885CYP11B1 68/4885CYP11B2 40/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885CYP11B1 68/4885CYP11B2 40/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2C 144/4885CYP11B1 68/4885CYP11B2 40/4885

“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.