SCHEMBL6803422

SCHEMBL6803422

c1ccc(CNC(c2ccccn2)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.40
FABP1 P07148 1/20 0.40
FABP6 P51161 1/20 0.40
KCNA5 P22460 3/20 0.39
KCNE1 P15382 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL6802479 0.90 CTSS (0.43) CTSSHPGDKCNA5KCNE1NPC1
SCHEMBL6808965 0.86 TSHR (0.47) CTSSSMN1; SMN2NPC1RAB9A
SCHEMBL6807801 0.81 KCNA5 (0.39) CTSSKCNA5KCNE1SMN1; SMN2
SCHEMBL10062683 0.79 CTSS (0.48) CTSSEPHX1HPGDSMN1; SMN2LMNA
SCHEMBL6808220 0.79 ROCK2 (0.42) EPHX1HPGDSMN1; SMN2RAB9A
SCHEMBL6808909 0.77 SMN1; SMN2 (0.38) KCNA5KCNE1SMN1; SMN2NPC1RAB9A
SCHEMBL14873381 0.77 KCNA5 (0.42) KCNA5KCNE1SMN1; SMN2
SCHEMBL6798043 0.77 OPRK1 (0.40) EPHX1SMN1; SMN2LMNACNR2CNR1
SCHEMBL20217274 0.76 KCNA5 (0.41) KCNA5KCNE1SMN1; SMN2
SCHEMBL18886611 0.74 EPHX1 (0.49) CTSSEPHX1HPGDSMN1; SMN2NPC1

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 1081/4885EPHX1 1603/4885HPGD 852/4885

“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.