SCHEMBL562204

SCHEMBL562204

CN1CCN(CCCOC(=O)CN)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
DRD3 P35462 2/20 0.47
PAOX Q6QHF9 1/20 0.46
RAB9A P51151 2/20 0.43
SLC29A1 Q99808 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 1/20 0.39
ABCC4 O15439 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 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
SCHEMBL13265451 0.84 NAAA (0.48) HRH3DRD3PAOXRAB9ASLC29A1
SCHEMBL11025698 0.83 HRH3 (0.47) HRH3DRD3PAOXRAB9ASLC29A1
SCHEMBL14641556 0.82 HRH3 (0.49) HRH3DRD3PAOXRAB9ASLC29A1
SCHEMBL561431 0.81 SMN1; SMN2 (0.52) HRH3ALDH1A1USP2MEN1LMNA
SCHEMBL561818 0.81 HRH2 (0.44) HRH3RAB9ANPC1ALDH1A1MEN1
SCHEMBL16845085 0.80 HRH3 (0.50) HRH3DRD3PAOXRAB9ASLC29A1
SCHEMBL1301323 0.79 HRH3 (0.49) HRH3DRD3PAOXRAB9ASLC29A1
SCHEMBL24219772 0.77 HRH3 (0.48) HRH3DRD3PAOXRAB9ASLC29A1
SCHEMBL13520211 0.77 HRH2 (0.40) DRD3SLC29A1ALDH1A1MEN1CYP2D6
Hydrochloric Acid SCHEMBL1950623 0.77 HRH3 (0.48) HRH3DRD3PAOXRAB9ASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322740-A1 PSA PEPTIDASE ACTIVITY (PPA) AS A PROSTATE CANCER BIOMARKER NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-10-30 US disclosed
US-20140134658-A1 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS NOTRHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-05-15 US disclosed
US-20120034638-A1 Electrochemical assay for the detection of enzymatically active PSA NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION 2012-02-09 US disclosed
US-6844318-B2 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-01-18 US disclosed
EP-1263473-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US disclosed
WO-2001068145-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-20 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-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use DNPEP, TMPRSS15, ENPEP HRH3 2329/4885DRD3 4295/4885PAOX 3823/4885

“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.