SCHEMBL3168784

SCHEMBL3168784

CC1CNCCN1c1ccc(C(=O)Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.44
ADRB1 P08588 1/20 0.38
USP2 O75604 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 4/20 0.37
WEE1 P30291 3/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
BRPF1 P55201 2/20 0.35
BRD4 O60885 1/20 0.35
BRD1 O95696 1/20 0.35

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
Hydrochloric Acid SCHEMBL2925849 0.99 RAD52 (0.46) RAD52ADRB1USP2ALDH1A1TSHR
SCHEMBL22801980 0.87 MAPT (0.46) RAD52ADRB1USP2ALDH1A1TSHR
SCHEMBL28596325 0.87 USP2 (0.49) RAD52ADRB1USP2ALDH1A1TSHR
SCHEMBL1473008 0.87 USP2 (0.49) RAD52ADRB1USP2ALDH1A1TSHR
SCHEMBL22801996 0.87 MAPT (0.46) RAD52ADRB1USP2ALDH1A1TSHR
SCHEMBL5631357 0.85 RAD52 (0.44) RAD52ADRB1USP2ALDH1A1TSHR
SCHEMBL5742221 0.83 OPRD1 (0.46) RAD52ALDH1A1HSD17B10MAPTBRPF1
SCHEMBL18889530 0.81 HSD17B3 (0.43) RAD52ADRB1ALDH1A1SLC6A2SLC6A4
SCHEMBL19617168 0.80 HTT (0.49) RAD52ALDH1A1TSHRLMNA
SCHEMBL335933 0.80 HTR3A (0.50) RAD52ADRB1WEE1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited , a corporation 2010-01-14 US disclosed
EP-2030621-A1 Novel substituted pyrimidines as cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-03-04 EP 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-20100009956-A1 NOVEL SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS SERPINB1, CTRL, PRSS1 RAD52 3875/4885ADRB1 3626/4885USP2 397/4885

“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.