SCHEMBL6045533

SCHEMBL6045533

Cc1csc(C2(Nc3ccccc3)CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPFFR1 Q9GZQ6 3/20 0.45
NPFFR2 Q9Y5X5 3/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6045603 0.90 LMNA (0.44) CYP3A4HSD17B10DRD2DRD4DRD3
SCHEMBL6045710 0.87 SMN1; SMN2 (0.44) CYP3A4HSD17B10DRD2DRD4DRD3
SCHEMBL6045642 0.85 BACE1 (0.35) KMT2ASIGMAR1
SCHEMBL9372381 0.81 OPRL1 (0.49) CYP3A4HSD17B10DRD2DRD4DRD3
SCHEMBL6045466 0.81 NPFFR1 (0.46) CYP3A4HSD17B10NPFFR1NPFFR2ALDH1A1
SCHEMBL6045686 0.77 CYP3A4 (0.43) CYP3A4HSD17B10DRD2DRD4DRD3
SCHEMBL30122291 0.76 OPRL1 (0.58) CYP3A4HSD17B10NPFFR1NPFFR2DRD2
SCHEMBL6045663 0.74 LMNA (0.47) CYP3A4HSD17B10NPFFR1NPFFR2ALDH1A1
SCHEMBL6045724 0.73 NPFFR1 (0.44) CYP3A4HSD17B10NPFFR1NPFFR2ALDH1A1
SCHEMBL6045421 0.73 CYP2D6 (0.44) CYP3A4HSD17B10ALDH1A1CYP2D6OPRM1

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-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR CYP3A4 4753/4885HSD17B10 3738/4885NPFFR1 39/4885

“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.