SCHEMBL3070706

SCHEMBL3070706

Fc1ccccc1C(c1ccccn1)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
HRH4 Q9H3N8 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA2A P08913 9/20 0.40
ADRA2B P18089 9/20 0.40
ADRA2C P18825 9/20 0.40
ADRA1A P35348 7/20 0.40
ADRA1B P35368 6/20 0.40
ADRA1D P25100 5/20 0.40
CYP19A1 P11511 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3061803 0.91 HRH3 (0.43) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3051753 0.88 ADRA2A (0.46) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL13099175 0.84 HRH3 (0.42) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3070530 0.83 ADRA2A (0.51) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3067675 0.83 HRH3 (0.42) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3055369 0.81 CYP19A1 (0.44) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3072215 0.81 HRH3 (0.47) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3061266 0.80 ADRA2A (0.41) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3017476 0.80 ADRA2A (0.47) HRH3HRH4CYP1A2CYP3A4CYP2D6
SCHEMBL3066082 0.79 SLC6A2 (0.62) HRH3HRH4CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101743240-B ((phenyl) imidazolyl) methyl heteroaryl compounds ALLERGAN INC 2013-07-17 CN disclosed
EP-2155715-B1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN INC (US) 2013-03-13 EP disclosed
US-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS SINHA SANTOSH C 2010-10-28 US disclosed
CN-101743240-A ((phenyl) imidazolyl) methyl heteroaryl compounds ALLERGAN INC 2010-06-16 CN disclosed
EP-2155715-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2010-02-24 EP disclosed
WO-2008141312-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS ALLERGAN, INC. (US) 2008-11-20 WO 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 (1 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-20100273814-A1 ((PHENYL)IMIDAZOLYL)METHYLHETEROARYL COMPOUNDS CYP11B2, TPMT, COXFA4L2 HRH3 579/4885HRH4 299/4885CYP1A2 290/4885

“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.