SCHEMBL3530217

SCHEMBL3530217

Cc1ccc(Cl)c(C(O)Cc2ncc[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2RL1 P55085 5/20 0.36
NPSR1 Q6W5P4 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL11291744 0.86 TAAR1 (0.41) TAAR1L3MBTL1F2RL1NISCHNPC1
SCHEMBL6299555 0.80 CYP2D6 (0.58) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3526784 0.78 TAAR1 (0.49) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3528465 0.78 TAAR1 (0.39) TAAR1F2RL1
SCHEMBL7518159 0.78 ADRA2C (0.46) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6572921 0.78 ADRA2C (0.46) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3530042 0.77 TAAR1 (0.50) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3913688 0.76 TAAR1 (0.39) TAAR1F2RL1
SCHEMBL11289983 0.75 TAAR1 (0.44) TAAR1L3MBTL1HTR1A
SCHEMBL11299695 0.74 TAAR1 (0.50) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TAAR1 2147/4885CYP1A2 12/4885CYP3A4 3/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885CYP1A2 12/4885CYP3A4 3/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885CYP1A2 12/4885CYP3A4 3/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885CYP1A2 12/4885CYP3A4 3/4885

“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.