SCHEMBL3527671

SCHEMBL3527671

CCc1c(C)cccc1C(O)Cc1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.55
HTR1A P08908 1/20 0.46
F2RL1 P55085 7/20 0.40
BRD4 O60885 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11289039 0.85 TAAR1 (0.51) TAAR1HTR1AF2RL1CYP1A2CYP3A4
SCHEMBL11299695 0.85 TAAR1 (0.50) TAAR1HTR1AF2RL1CYP1A2CYP3A4
SCHEMBL3530042 0.84 TAAR1 (0.50) TAAR1HTR1AF2RL1CYP1A2CYP3A4
SCHEMBL11293853 0.80 TAAR1 (0.55) TAAR1HTR1AF2RL1BRD4
SCHEMBL3529776 0.77 TAAR1 (0.46) TAAR1HTR1AF2RL1
SCHEMBL3526784 0.77 TAAR1 (0.49) TAAR1HTR1AF2RL1CYP1A2CYP3A4
SCHEMBL11291744 0.74 TAAR1 (0.41) TAAR1HTR1AF2RL1BRD4L3MBTL1
SCHEMBL698456 0.74 ADRA2A (0.55) TAAR1HTR1AF2RL1CYP1A2CYP3A4
SCHEMBL11566236 0.74 ADRA2A (0.54) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6299555 0.73 CYP2D6 (0.58) TAAR1F2RL1CYP1A2CYP3A4CYP2D6

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 2147/4885HTR1A 1832/4885F2RL1 3870/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885HTR1A 1832/4885F2RL1 3870/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885HTR1A 1832/4885F2RL1 3870/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885HTR1A 1832/4885F2RL1 3870/4885

“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.