SCHEMBL13050842

SCHEMBL13050842

O=C(NC[C@@H]1C[C@@H](c2ccccc2)c2ccccc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
P2RX7 Q99572 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB1 P08588 1/20 0.42
KDM1A O60341 3/20 0.40
MAOA P21397 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 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
SCHEMBL13050949 0.91 OPRM1 (0.47) OPRM1HPGDCTSLCTSBCTSK
SCHEMBL13050868 0.91 OPRM1 (0.47) OPRM1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13050888 0.88 OPRM1 (0.47) OPRM1P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL13050963 0.88 OPRM1 (0.47) OPRM1HPGDGAASMN1; SMN2NPC1
SCHEMBL13050896 0.88 OPRM1 (0.47) OPRM1P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL13050973 0.88 OPRM1 (0.47) OPRM1HPGDGAASMN1; SMN2NPC1
SCHEMBL13050921 0.85 SLC6A4 (0.50) NPC1RAB9AMEN1CYP1A2CYP3A4
SCHEMBL13050992 0.85 SLC6A2 (0.42) OPRM1HPGDNPC1RAB9AKDM1A
SCHEMBL13050986 0.85 SLC6A2 (0.42) OPRM1HPGDNPC1RAB9AKDM1A
SCHEMBL13050916 0.85 SLC6A4 (0.50) NPC1RAB9AMEN1CYP1A2CYP3A4

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-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 771/4885HPGD 1640/4885GAA 363/4885

“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.