SCHEMBL4421682

SCHEMBL4421682

O=c1ccc2cccc3c2n1CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
DRD2 P14416 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MCL1 Q07820 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 6/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL11207376 0.89 HPGD (0.55) HTR1ADRD2ALDH1A1MCL1USP2
SCHEMBL3232440 0.79 KDM4E (0.39) HTR1ADRD2ALDH1A1USP2HPGD
SCHEMBL4999239 0.75 MCL1 (0.41) ALDH1A1MCL1USP2HPGDHSD17B10
SCHEMBL17520233 0.73 AHR (0.50) ALDH1A1MCL1USP2HPGDHSD17B10
SCHEMBL13052119 0.71 ALDH1A1 (0.35) HTR1ADRD2ALDH1A1USP2HPGD
SCHEMBL17740404 0.70 AHR (0.48) HTR1ADRD2ALDH1A1MCL1USP2
SCHEMBL6339117 0.70 AHR (0.48) ALDH1A1MCL1USP2HPGDHSD17B10
SCHEMBL12449714 0.70 MCL1 (0.47) ALDH1A1MCL1USP2HPGDHSD17B10
SCHEMBL18878414 0.69 AHR (0.47) ALDH1A1MCL1USP2HPGDHSD17B10
SCHEMBL6338476 0.69 AHR (0.50) ALDH1A1MCL1USP2HPGDHSD17B10

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
EP-2135073-A1 METHODS OF DETERMINING ACUTE MYELOID LEUKEMIA RESPONSE TO TREATMENT WITH FARNESYLTRANSFERASE Veridex, LLC (US) 2009-12-23 EP disclosed
WO-2008112749-A1 METHODS OF DETERMINING ACUTE MYELOID LEUKEMIA RESPONSE TO TREATMENT WITH FARNESYLTRANSFERASE VERIDEX, LLC (US) 2008-09-18 WO disclosed
US-6869960-B2 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. (US) 2005-03-22 US disclosed
US-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor ITO FUMITAKA (JP) 2003-08-21 US 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-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor OGFRL1, OXER1, ORMDL3 HTR1A 772/4885DRD2 239/4885ALDH1A1 306/4885

“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.