SCHEMBL6247337

SCHEMBL6247337

CC(C)=CC(=O)N1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
TSHR P16473 1/20 1.00
NOTUM Q6P988 2/20 0.69
ALDH1A1 P00352 6/20 0.63
LMNA P02545 3/20 0.63
RAB9A P51151 1/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 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
SCHEMBL4780895 0.91 KMT2A (0.83) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL29510859 0.82 NOTUM (1.00) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL709869 0.82 NOTUM (1.00) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL28078012 0.82 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL23917553 0.81 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL31139426 0.81 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL29353444 0.80 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL2829456 0.80 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2ATSHRNOTUM
Hydrochloric Acid SCHEMBL11845665 0.79 SMN1; SMN2 (0.74) SMN1; SMN2MEN1KMT2ATSHRNOTUM
SCHEMBL4017502 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2ATSHRNOTUM

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
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 SMN1; SMN2 1623/4885MEN1 4579/4885KMT2A 480/4885

“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.