SCHEMBL9977895

SCHEMBL9977895

c1ccc(-c2ccn(CCNCC3CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
CRHR1 P34998 1/20 0.43
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
VCP P55072 5/20 0.40
CAPN1 P07384 1/20 0.39
NR5A2 O00482 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
SCHEMBL9977894 0.86 SCN4A (0.40) CRHR1KMT2AHDAC1HDAC3HDAC4
SCHEMBL2524464 0.75 PDE10A (0.54) PDE10AKMT2AHDAC1HDAC3HDAC4
SCHEMBL17273861 0.75 KMT2A (0.46) PDE10AKMT2AHDAC1HDAC3HDAC4
SCHEMBL9384038 0.74 KMT2A (0.55) PDE10AKMT2AHDAC1HDAC3HDAC4
SCHEMBL17273860 0.72 PDE10A (0.56) PDE10AKMT2AHDAC1HDAC3HDAC4
SCHEMBL15338801 0.71 KMT2A (0.60) PDE10AKMT2ANR5A2KDM4ENPC1
SCHEMBL6917539 0.71 KMT2A (0.55) PDE10AKMT2AHDAC1HDAC3HDAC4
SCHEMBL9957348 0.70 HDAC1 (0.48) PDE10AKMT2AHDAC1HDAC3HDAC4
SCHEMBL17273818 0.70 PDE10A (0.59) PDE10AKMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL2187295 0.70 KMT2A (0.53) PDE10AKMT2AHDAC1HDAC3HDAC4

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-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
US-20130281465-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-24 US disclosed
EP-2653469-A1 PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-10-23 EP 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 PDE10A 1247/4885CRHR1 11/4885KMT2A 1092/4885

“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.