SCHEMBL6804377

SCHEMBL6804377

Cn1cnc(C2(CNCc3ccc(O)cc3)CCCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
KMT2A Q03164 1/20 0.32
ADRB2 P07550 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
SCN8A Q9UQD0 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6802473 0.77 OPRM1 (0.47) ADRB2ALDH1A1HTT
SCHEMBL6803510 0.74 ALDH1A1 (0.37) KMT2AADRB2ALDH1A1HTTMTNR1A
SCHEMBL6799556 0.70 NPC1 (0.45) KMT2AALDH1A1LMNA
SCHEMBL6808948 0.70 ALDH1A1 (0.43) LTA4HKMT2AADRB2ALDH1A1HTT
SCHEMBL6802801 0.68 KCNA3 (0.43) ADRB2ALDH1A1HTTLMNA
SCHEMBL6807682 0.66 SLC6A4 (0.41) ALDH1A1
SCHEMBL6249722 0.65 OPRM1 (0.56)
SCHEMBL6802528 0.65 DPP7 (0.35) KMT2AADRB2ALDH1A1HTTSCN8A
SCHEMBL6798038 0.65 OPRM1 (0.40) ADRB2ALDH1A1HTT
SCHEMBL11230906 0.65 ADRB2 (0.44) ADRB2ALDH1A1HTT

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 LTA4H 1676/4885KMT2A 3959/4885ADRB2 38/4885

“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.