SCHEMBL9977750

SCHEMBL9977750

NCCn1cc(-c2ccc(F)cn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.50
HCRTR1 O43613 6/20 0.46
HCRTR2 O43614 6/20 0.46
GRM5 P41594 3/20 0.40
CREBBP Q92793 1/20 0.39
NAMPT P43490 2/20 0.39
MAPT P10636 1/20 0.39
NTRK1 P04629 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
Hydrochloric Acid SCHEMBL15327063 0.98 FEN1 (0.49) FEN1HCRTR1HCRTR2GRM5CREBBP
SCHEMBL15338817 0.85 NAMPT (0.52) HCRTR1HCRTR2GRM5CREBBPNAMPT
SCHEMBL9977896 0.84 CREBBP (0.51) FEN1CREBBPMAPTL3MBTL1
Hydrochloric Acid SCHEMBL15326968 0.82 CREBBP (0.50) FEN1CREBBPMAPTL3MBTL1
SCHEMBL9977865 0.80 HCRTR1 (0.53) HCRTR1HCRTR2GRM5CREBBPNAMPT
SCHEMBL30574243 0.79 ALOX5AP (0.42) HCRTR1HCRTR2GRM5
SCHEMBL15604646 0.78 HCRTR1 (0.52) HCRTR1HCRTR2GRM5NAMPT
Hydrochloric Acid SCHEMBL16648614 0.77 HCRTR1 (0.51) HCRTR1HCRTR2GRM5NAMPT
SCHEMBL15327002 0.77 HCRTR1 (0.63) HCRTR1HCRTR2NAMPT
SCHEMBL16561338 0.76 MKNK1 (0.50) FEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
WO-2012081692-A1 PYRAZOLE DERIVATIVE 大正製薬株式会社 (JP) 2012-06-21 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-20130281465-A1 PYRAZOLE DERIVATIVE HCRTR1, HCRTR2, NPY4R FEN1 4849/4885HCRTR1 1/4885HCRTR2 2/4885

“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.