SCHEMBL6808965

SCHEMBL6808965

COc1ccc(CNC(c2ccccn2)C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPM8 Q7Z2W7 3/20 0.43
CTSS P25774 1/20 0.41
EPHX2 P34913 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CASR P41180 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
SCHEMBL6803422 0.86 CTSS (0.52) NPC1RAB9ASMN1; SMN2CTSS
SCHEMBL6802479 0.84 CTSS (0.43) NPC1RAB9ACTSSMEN1KMT2A
SCHEMBL20851538 0.77 TSHR (0.55) TSHRNPC1ALDH1A1TDP1CASR
SCHEMBL6807801 0.76 KCNA5 (0.39) TSHRSMN1; SMN2CTSSMEN1KMT2A
SCHEMBL6798043 0.73 OPRK1 (0.40) TSHRNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL20217274 0.72 KCNA5 (0.41) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13822727 0.72 KMT2A (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6808220 0.72 ROCK2 (0.42) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28663870 0.72 TDP1 (0.59) TSHRHTTMEN1KMT2ATDP1
SCHEMBL28663869 0.72 TDP1 (0.59) TSHRHTTMEN1KMT2ATDP1

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 TSHR 1578/4885NPC1 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.