SCHEMBL3312295

SCHEMBL3312295

ON=C1CCN(Cc2ccccc2)CC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 4/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
OPRL1 P41146 1/20 0.41
NR3C1 P04150 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13398149 1.00 MEN1 (0.49) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL3312293 1.00 MEN1 (0.49) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL15645984 0.77 SIGMAR1 (0.48) SIGMAR1GAANR3C1CYP2D6GRIN1
SCHEMBL3315042 0.77 NR3C1 (0.49) MEN1KMT2ASIGMAR1GAANR3C1
SCHEMBL7270268 0.76 SIGMAR1 (0.61) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL4501240 0.73 SIGMAR1 (0.52) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL4501237 0.73 SIGMAR1 (0.52) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL10365169 0.73 SIGMAR1 (0.52) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL5265862 0.72 CYP2D6 (0.44) MEN1TSHRKMT2ASIGMAR1GAA
SCHEMBL5265856 0.72 CYP2D6 (0.44) MEN1TSHRKMT2ASIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 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 (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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 MEN1 3755/4885TSHR 4191/4885KMT2A 1045/4885

“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.