SCHEMBL2626799

SCHEMBL2626799

CCC(c1cnc[nH]1)c1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.51
ADRA2A P08913 9/20 0.44
ADRA2B P18089 9/20 0.44
ADRA2C P18825 9/20 0.44
ADRA1A P35348 7/20 0.44
ADRA1B P35368 6/20 0.44
ADRA1D P25100 5/20 0.44
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A2 P23975 1/20 0.42
HTR7 P34969 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
CPA1 P15085 1/20 0.41

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
SCHEMBL2626812 0.88 ADRA2A (0.44) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626795 0.80 ADRA2A (0.63) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2626829 0.79 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2626798 0.79 CYP19A1 (0.52) CYP19A1ADRA2AADRA2BADRA2CTAAR1
SCHEMBL8820677 0.78 HRH3 (0.53) CYP19A1TAAR1CPA1
SCHEMBL21401161 0.78 ADRA2A (0.62) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL21910179 0.76 IDO1 (0.47) CYP3A4CYP2C9TSHRTAAR1
Ammonia Solution, Strong SCHEMBL6001393 0.74 IDO1 (0.46) CYP19A1CYP3A4CYP2C9TSHR
SCHEMBL2626800 0.74 CYP19A1 (0.59) CYP19A1ADRA2ATAAR1
SCHEMBL23159325 0.73 HRH1 (0.50) CYP19A1CYP1A2CYP3A4CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A CYP19A1 192/4885ADRA2A 116/4885ADRA2B 107/4885

“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.