SCHEMBL13050992

SCHEMBL13050992

O=C(NC[C@@H]1C[C@@H](c2ccc(F)c(F)c2)c2ccccc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KDM1A O60341 9/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
OPRM1 P35372 2/20 0.40
USP5 P45974 1/20 0.39
HPGD P15428 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13050986 1.00 SLC6A2 (0.42) SLC6A2SLC6A4KDM1ANPC1RAB9A
SCHEMBL13050949 0.87 OPRM1 (0.47) NPC1RAB9AOPRM1HPGD
SCHEMBL13050973 0.86 OPRM1 (0.47) KDM1ANPC1RAB9AOPRM1USP5
SCHEMBL13050963 0.86 OPRM1 (0.47) KDM1ANPC1RAB9AOPRM1USP5
SCHEMBL13050842 0.85 OPRM1 (0.47) KDM1ANPC1RAB9AOPRM1HPGD
SCHEMBL13050868 0.84 OPRM1 (0.47) NPC1RAB9AOPRM1HPGD
SCHEMBL13050921 0.84 SLC6A4 (0.50) SLC6A2SLC6A4NPC1RAB9A
SCHEMBL13050916 0.84 SLC6A4 (0.50) SLC6A2SLC6A4NPC1RAB9A
SCHEMBL13050888 0.84 OPRM1 (0.47) NPC1RAB9AOPRM1
SCHEMBL13050896 0.84 OPRM1 (0.47) NPC1RAB9AOPRM1

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 SLC6A2 19/4885SLC6A4 44/4885KDM1A 3281/4885

“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.