SCHEMBL4780895

SCHEMBL4780895

CC(C)=CC(=O)N1CCc2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.83
SMN1; SMN2 Q16637 4/20 0.83
TSHR P16473 3/20 0.83
MEN1 O00255 3/20 0.83
ALDH1A1 P00352 7/20 0.76
LMNA P02545 1/20 0.76
NOTUM Q6P988 2/20 0.68
HPGD P15428 3/20 0.55
MAPT P10636 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 2/20 0.55
HTT P42858 2/20 0.55
POLB P06746 3/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL6247337 0.91 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL5492983 0.81 NOTUM (0.64) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL29449723 0.81 NOTUM (1.00) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL396037 0.81 NOTUM (1.00) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL29611497 0.80 NOTUM (0.62) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL10899996 0.80 NOTUM (0.62) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL27881451 0.79 NOTUM (0.61) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL29449730 0.79 ALDH1A1 (0.71) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL789554 0.79 ALDH1A1 (0.71) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1
SCHEMBL11981335 0.78 NOTUM (0.68) KMT2ASMN1; SMN2TSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015516-A1 FUSED TRICYCLIC HETEROCYCLES FOR THE TREATMENT OF SCHIZOPHRENIA PFIZER PRODUCTS INC. (US) 2008-02-07 WO disclosed
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 KMT2A 480/4885SMN1; SMN2 1623/4885TSHR 378/4885

“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.