SCHEMBL6501848

SCHEMBL6501848

CNC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.42
OPRL1 P41146 7/20 0.42
OPRK1 P41145 1/20 0.42
HDAC1 Q13547 2/20 0.36
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A2 P23975 1/20 0.33
LIG1 P18858 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6502410 0.98 OPRM1 (0.41) OPRM1OPRL1OPRK1HDAC1OPRD1
SCHEMBL10476543 0.91 OPRM1 (0.48) OPRM1OPRL1OPRK1HDAC1OPRD1
Hydrochloric Acid SCHEMBL1141355 0.89 OPRM1 (0.47) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL28631532 0.82 HDAC3 (0.40) OPRM1OPRL1OPRK1HDAC1POLB
SCHEMBL11091107 0.81 HSD11B1 (0.41) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL8353019 0.81 OPRM1 (0.43) OPRM1OPRL1OPRK1HDAC1SMN1; SMN2
SCHEMBL17320610 0.79 HDAC1 (0.38) OPRM1HDAC1OPRD1ALDH1A1SLC6A4
SCHEMBL7262204 0.79 SLC6A3 (0.53) OPRM1OPRL1OPRK1HDAC1SLC6A4
SCHEMBL294583 0.78 OPRM1 (0.63) OPRM1OPRL1OPRK1SLC6A4
SCHEMBL8284914 0.78 SLC6A3 (0.56) OPRM1OPRL1OPRK1HDAC1SLC6A4

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-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 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-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA OPRM1 2605/4885OPRL1 1716/4885OPRK1 1145/4885

“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.