SCHEMBL6045686

SCHEMBL6045686

Cc1csc(C2(c3ccccc3N)CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRL1 P41146 2/20 0.41
SIGMAR1 Q99720 7/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 3/20 0.41
DRD2 P14416 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9372381 0.87 OPRL1 (0.49) CYP3A4HSD17B10OPRL1SIGMAR1ALDH1A1
SCHEMBL6045533 0.77 CYP3A4 (0.45) CYP3A4HSD17B10OPRL1SIGMAR1ALDH1A1
SCHEMBL6045710 0.74 SMN1; SMN2 (0.44) CYP3A4HSD17B10OPRL1ALDH1A1CYP2D6
SCHEMBL6045730 0.73 OPRL1 (0.41) CYP3A4HSD17B10OPRL1SIGMAR1ALDH1A1
SCHEMBL6429809 0.72 OPRL1 (0.43) CYP3A4HSD17B10OPRL1SIGMAR1ALDH1A1
SCHEMBL6045603 0.71 LMNA (0.44) CYP3A4HSD17B10SIGMAR1DRD2TSHR
SCHEMBL6045421 0.71 CYP2D6 (0.44) CYP3A4HSD17B10SIGMAR1ALDH1A1CYP2D6
SCHEMBL6045719 0.71 KDM4E (0.39) CYP3A4HSD17B10OPRL1SIGMAR1ALDH1A1
SCHEMBL10916463 0.71 OPRL1 (0.70) CYP3A4HSD17B10OPRL1SIGMAR1ALDH1A1
SCHEMBL6045599 0.70 CYP2D6 (0.42) CYP3A4HSD17B10ALDH1A1CYP2D6MEN1

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 3738/4885OPRL1 71/4885

“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.