SCHEMBL17484499

SCHEMBL17484499

C1CC(NCCN2CCNCC2)CCN1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.79
HSD17B10 Q99714 1/20 0.47
GNAI3 P08754 5/20 0.46
GNAO1 P09471 5/20 0.46
GNAI1 P63096 5/20 0.46
VCP P55072 2/20 0.43
SOS1 Q07889 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CXCR4 P61073 2/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL22123351 0.94 RAD52 (0.82) RAD52HSD17B10GNAI3GNAO1GNAI1
SCHEMBL28637244 0.90 RAD52 (0.96) RAD52HSD17B10GNAI3GNAO1GNAI1
SCHEMBL14302740 0.85 RAD52 (0.70) RAD52HSD17B10GNAI3GNAO1GNAI1
SCHEMBL12120528 0.79 RAD52 (0.57) RAD52HSD17B10GNAI3GNAO1GNAI1
Bromide SCHEMBL1307130 0.78 RAD52 (0.56) RAD52HSD17B10GNAI3GNAO1GNAI1
SCHEMBL20124124 0.78 RAD52 (0.81) RAD52HSD17B10GNAI3GNAO1GNAI1
SCHEMBL17484488 0.78 RAD52 (0.60) RAD52GNAI3GNAO1GNAI1SOS1
SCHEMBL24352354 0.78 RAD52 (0.59) RAD52HSD17B10GNAI3GNAO1GNAI1
SCHEMBL22943277 0.76 GNAI3 (0.53) RAD52GNAI3GNAO1GNAI1SOS1
SCHEMBL17484491 0.75 RAD52 (0.49) RAD52GNAI3GNAO1GNAI1VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RAD52 1404/4885HSD17B10 1504/4885GNAI3 3587/4885

“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.