SCHEMBL6805076

SCHEMBL6805076

CNC1(c2ccccn2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
HSD11B1 P28845 1/20 0.40
GRM4 Q14833 1/20 0.39
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 6/20 0.35
OPRL1 P41146 2/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 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
SCHEMBL6803006 1.00 GRIN1 (0.50) GRIN1GRIN2AGRIN2BHSD11B1GRM4
SCHEMBL15998490 0.95 GRIN1 (0.44) GRIN1GRIN2AGRIN2BHSD11B1GRM4
SCHEMBL9965971 0.91 GRM4 (0.44) GRIN1GRIN2AGRIN2BGRM4MAPK1
SCHEMBL8627193 0.81 GRIN1 (0.46) GRIN1GRIN2AGRIN2BHSD11B1GRM4
SCHEMBL27796313 0.81 GRIN1 (0.43) GRIN1GRIN2AGRIN2BHSD11B1GRM4
SCHEMBL12259535 0.77 GRIN1 (0.41) GRIN1GRIN2AGRIN2BHSD11B1GRM4
Hydrochloric Acid SCHEMBL5874306 0.77 ALDH1A1 (0.38) GRIN1GRIN2AGRIN2BGRM4MAPK1
Hydrochloric Acid SCHEMBL5874153 0.77 ALDH1A1 (0.38) GRIN1GRIN2AGRIN2BGRM4MAPK1
SCHEMBL9963369 0.75 GRIN1 (0.42) GRIN1GRIN2AGRIN2BHSD11B1GRM4
SCHEMBL30825709 0.75 GRIN1 (0.58) GRIN1GRIN2AGRIN2BHSD11B1KDM4E

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 GRIN1 780/4885GRIN2A 1010/4885GRIN2B 1046/4885

“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.