SCHEMBL12899404

SCHEMBL12899404

CC(C(=O)NCCN1CCN(C)CC1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR4 Q13639 1/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
TACR1 P25103 1/20 0.43
TACR3 P29371 1/20 0.43
CNR1 P21554 1/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SHMT2 P34897 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13690836 0.89 CYP2C19 (0.46) CYP2C19USP2HTR4TSHRPOLB
SCHEMBL12898853 0.86 CYP2C19 (0.46) CYP2C19USP2HDAC2HDAC8HDAC6
SCHEMBL13689024 0.84 TSHR (0.59) TSHRPOLBTACR3SMN1; SMN2ALDH1A1
SCHEMBL13689027 0.83 CYP2C19 (0.40) CYP2C19USP2TSHRSMN1; SMN2MEN1
SCHEMBL4100480 0.83 CYP2C19 (0.51) CYP2C19USP2HDAC2HDAC8HDAC6
SCHEMBL29645969 0.81 CYP2C19 (0.47) CYP2C19USP2HDAC2HDAC8HDAC6
SCHEMBL22987635 0.80 CYP2C19 (0.49) CYP2C19USP2HDAC2HDAC8HDAC6
SCHEMBL20354425 0.77 HDAC2 (0.43) CYP2C19USP2HDAC2HDAC8HDAC6
SCHEMBL14108236 0.76 USP2 (0.46) CYP2C19USP2TSHRMEN1KMT2A
SCHEMBL21017165 0.76 DRD4 (0.58) HDAC2HDAC8HDAC6TSHRPOLB

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-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
WO-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 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-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 CYP2C19 174/4885USP2 2500/4885HDAC2 699/4885

“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.