SCHEMBL13050890

SCHEMBL13050890

O=C(N[C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc21)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL13050889 1.00 GRM5 (0.52) GRM5TAS1R3TAS1R1TAS1R2PKM
SCHEMBL13050841 0.87 HTT (0.51) PKMHTT
SCHEMBL13050839 0.87 HTT (0.51) PKMHTT
SCHEMBL13050863 0.86 HTT (0.46) GRM5TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL13050865 0.86 HTT (0.46) GRM5TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL13050966 0.85 TAS1R3 (0.51) GRM5TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL13050923 0.85 SLC6A2 (0.62) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL13050927 0.85 SLC6A2 (0.62) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL13050965 0.85 TAS1R3 (0.51) GRM5TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL13050985 0.82 NPC1 (0.45) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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 GRM5 1840/4885TAS1R3 3663/4885TAS1R1 4160/4885

“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.