SCHEMBL2609372

SCHEMBL2609372

CC(C)c1ccc(-c2cccc(C(F)(F)F)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GABRA1 P14867 1/20 0.49
HPGD P15428 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 1/20 0.47
MAOA P21397 2/20 0.45
KDM1A O60341 2/20 0.45
XDH P47989 1/20 0.45
CTSS P25774 1/20 0.44

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
SCHEMBL13729415 0.86 TRPV3 (0.40) MAOBCNR2ALDH1A1KDM4ECYP1A2
SCHEMBL2609362 0.81 MAOB (0.43) MAOBKDM1ATRPV3
SCHEMBL2609334 0.80 CTSS (0.56) MAOBCNR2ALDH1A1KDM4ECYP1A2
SCHEMBL2615360 0.80 KDM4E (0.56) MAOBCNR2ALDH1A1KDM4ECYP1A2
SCHEMBL13729206 0.80 MAOB (0.47) MAOBALDH1A1KDM4EGABRG2GABRB3
SCHEMBL2609394 0.77 IDO1 (0.48) MAOBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3970891 0.76 CNR2 (0.53) MAOBCNR2ALDH1A1KDM4ECYP1A2
SCHEMBL2609371 0.76 MAOB (0.47) MAOBIDO1NOTUMTRPV3NPC1
SCHEMBL10853666 0.76 CNR2 (0.53) MAOBCNR2ALDH1A1KDM4ECYP1A2
SCHEMBL2609337 0.76 ALDH1A1 (0.56) MAOBALDH1A1IDO1GAAATM

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-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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 (2 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R MAOB 805/4885CNR2 15/4885ALDH1A1 3958/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 MAOB 931/4885CNR2 360/4885ALDH1A1 840/4885

“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.