SCHEMBL6802479

SCHEMBL6802479

Oc1ccc(CNC(c2ccccn2)C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KCNA5 P22460 3/20 0.35
KCNE1 P15382 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6803422 0.90 CTSS (0.52) CTSSNPC1RAB9AHPGDKCNA5
SCHEMBL6798043 0.88 OPRK1 (0.40) NPC1RAB9AMEN1KMT2A
SCHEMBL6808965 0.84 TSHR (0.47) CTSSNPC1RAB9AALDH1A1MEN1
SCHEMBL6804384 0.77 CTSS (0.41) CTSSNPC1RAB9AACHEBACE1
SCHEMBL6807801 0.76 KCNA5 (0.39) CTSSKDM4EHDAC6MAPTALDH1A1
SCHEMBL6808909 0.76 SMN1; SMN2 (0.38) NPC1RAB9AKDM4EHDAC6MAPT
SCHEMBL6808220 0.74 ROCK2 (0.42) RAB9AHDAC6ALDH1A1HPGDMEN1
SCHEMBL14873381 0.73 KCNA5 (0.42) KDM4EHDAC6MAPTALDH1A1GAA
SCHEMBL20217274 0.72 KCNA5 (0.41) KDM4EHDAC6MAPTALDH1A1GAA
SCHEMBL6803515 0.72 ITGB3 (0.39) CTSSNPC1RAB9AACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR CTSS 1081/4885NPC1 2721/4885RAB9A 1163/4885

“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.