SCHEMBL16872244

SCHEMBL16872244

CCOC(=O)c1cc(F)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.48
GABRA2 P47869 8/20 0.47
GABRB2 P47870 7/20 0.47
GABRA1 P14867 7/20 0.47
GABRG2 P18507 7/20 0.47
GABRB3 P28472 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA3 P34903 7/20 0.47
GABRA4 P48169 7/20 0.47
GABRA6 Q16445 7/20 0.47
GABRP O00591 6/20 0.47
GABRD O14764 6/20 0.47
GABRB1 P18505 6/20 0.47
GABRE P78334 6/20 0.47
GABRG1 Q8N1C3 6/20 0.47
GABRG3 Q99928 6/20 0.47
GABRQ Q9UN88 6/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL24572143 0.84 GABRA2 (0.53) CYP1A2GABRA2GABRB2MAPTKDM4E
SCHEMBL127699 0.83 CYP1A2 (0.53) CYP1A2TSHRGABRA2GABRB2GABRA1
SCHEMBL30234144 0.81 CA12 (0.51) CYP1A2GABRA2GABRB2GABRA1GABRG2
SCHEMBL29466587 0.81 JMJD6 (0.57) CYP1A2GABRA2GABRB2GABRA1GABRG2
SCHEMBL30440953 0.81 CYP1A2 (0.51) CYP1A2GABRA2GABRB2GABRA1GABRG2
SCHEMBL159881 0.81 CYP1A2 (0.51) CYP1A2TSHRGABRA2GABRB2GABRA1
SCHEMBL930636 0.81 JMJD6 (0.57) CYP1A2GABRA2GABRB2GABRA1GABRG2
SCHEMBL5778009 0.81 CA12 (0.51) CYP1A2GABRA2GABRB2GABRA1GABRG2
SCHEMBL2305000 0.81 ALDH1A1 (0.50) CYP1A2GABRA2GABRB2GABRA1GABRG2
SCHEMBL30945316 0.81 ALDH1A1 (0.50) CYP1A2GABRA2GABRB2GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2015-08-13 US disclosed
EP-2891656-A1 PYRIDINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2015-07-08 EP 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-20150225404-A1 PYRIDINE DERIVATIVE AND MEDICINE TRPV1, TRPV5, TRPM5 CYP1A2 2274/4885TSHR 894/4885GABRA2 375/4885

“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.