SCHEMBL6300866

SCHEMBL6300866

CN(C)CCCOc1ccc(-c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.61
HRH3 Q9Y5N1 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
KDM4E B2RXH2 3/20 0.59
MAPT P10636 2/20 0.59
CASP3 P42574 2/20 0.59
SENP8 Q96LD8 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP6 Q9GZR1 2/20 0.59
PDGFRB P09619 2/20 0.59
PDGFRA P16234 2/20 0.59
LSS P48449 1/20 0.58
APP P05067 2/20 0.55
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
ACHE P22303 1/20 0.52
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL19719043 0.86 CTSV (0.67) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL4058775 0.83 HRH3 (0.65) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL6295064 0.83 NPC1 (0.58) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL10514020 0.83 CTSV (0.63) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL10514160 0.83 CTSV (0.63) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL25455003 0.82 TNKS (0.56) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL15223994 0.80 CHEK2 (0.53) TNKSPDGFRBPDGFRALSSACHE
SCHEMBL12392527 0.77 PDGFRB (0.52) TNKSKDM4EPDGFRBPDGFRALSS
SCHEMBL19719044 0.77 RAB9A (0.64) TNKSHRH3NPC1RAB9AKDM4E
SCHEMBL4065305 0.77 HRH3 (0.81) HRH3NPC1RAB9AKDM4EMAPT

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-6872834-B2 Phenyl-substituted indoles and indazoles ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-29 US disclosed
US-20020006928-A1 Phenyl-substituted indoles and indazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-01-17 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-20020006928-A1 Phenyl-substituted indoles and indazoles IDO1, IDO2, AADAC TNKS 84/4885HRH3 1173/4885NPC1 784/4885

“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.