SCHEMBL13698

SCHEMBL13698

N=C(N)NCCCCN1CC[C@@H](n2cc3c(nc2=O)[nH]c2ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
HTR1A P08908 4/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
PLD2 O14939 1/20 0.36
PLD1 Q13393 1/20 0.36
CCR2 P41597 5/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL8076 1.00 DRD2 (0.37) DRD2HTR1AHTR2AHTR2CDRD3
SCHEMBL12061561 0.87 SLC6A4 (0.43) CYP2D6CHRM1SLC6A4
SCHEMBL17484485 0.87 SLC6A4 (0.43) CYP2D6CHRM1SLC6A4
SCHEMBL12062415 0.84 CHRM1 (0.48) DRD2HTR1APLD1KDM4EALDH1A1
SCHEMBL14463 0.84 DRD2 (0.44) DRD2DRD3
SCHEMBL14539 0.83 ADRA2C (0.36) DRD2HTR1AHTR2ADRD3PLD2
SCHEMBL14077 0.82 SLC6A4 (0.47) DRD2HTR1AHTR2ADRD3CYP2D6
SCHEMBL14551 0.82 ADRA1D (0.52) DRD2HTR1AHTR2ADRD3ALDH1A1
SCHEMBL14035 0.79 SLC6A4 (0.39) KDM4EMAPK1ALDH1A1HSD17B10SLC6A4
SCHEMBL14574 0.79 DRD2 (0.36) DRD2DRD3KDM4EALDH1A1HSD17B10

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DRD2 2468/4885HTR1A 4608/4885HTR2A 4773/4885

“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.