SCHEMBL13050868

SCHEMBL13050868

O=C(NC[C@@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.42
CCR2 P41597 3/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
PRMT5 O14744 1/20 0.41

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
SCHEMBL13050842 0.91 OPRM1 (0.47) OPRM1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL13050949 0.88 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL13050888 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL13050896 0.87 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL13050916 0.87 SLC6A4 (0.50) NPC1TSHRRAB9A
SCHEMBL13050921 0.87 SLC6A4 (0.50) NPC1TSHRRAB9A
SCHEMBL13050992 0.84 SLC6A2 (0.42) OPRM1NPC1RAB9AHPGD
SCHEMBL13050986 0.84 SLC6A2 (0.42) OPRM1NPC1RAB9AHPGD
SCHEMBL13050963 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL13050973 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
US-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs LINK MEDICINE CORPORATION (US) 2010-11-18 US disclosed
WO-2009036275-A1 TREATMENT OF NEURODEGENERATIVE DISEASES USING INDATRALINE ANALOGS LINK MEDICINE CORPORATION (US) 2009-03-19 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-20100292292-A1 Treatment of Neurodegenerative Diseases Using Indatraline Analogs HTT, SNCA, PARK7 OPRM1 771/4885OPRD1 357/4885OPRK1 140/4885

“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.