SCHEMBL6803003

SCHEMBL6803003

NCC1(c2ccccn2)CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
SLC6A3 Q01959 11/20 0.49
SLC6A4 P31645 9/20 0.49
SLC6A2 P23975 5/20 0.49
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PTPN11 Q06124 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL6182607 1.00 DPP4 (0.52) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL20777704 0.98 DPP4 (0.53) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL11972618 0.95 DPP4 (0.48) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL3892446 0.91 MAOA (0.50) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL8627195 0.86 GRIN1 (0.47) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL21927029 0.83 ALDH1A1 (0.43) DPP4GRIN1GRIN2AGRIN2BSLC6A3
SCHEMBL27459789 0.82 GRIN1 (0.50) GRIN1GRIN2AGRIN2BSLC6A3SLC6A4
SCHEMBL28459324 0.82 GRIN1 (0.50) GRIN1GRIN2AGRIN2BOPRM1KDM4E
SCHEMBL3326134 0.80 PTPN11 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRL1
SCHEMBL15863115 0.80 GRIN1 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRL1

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 DPP4 1446/4885GRIN1 780/4885GRIN2A 1010/4885

“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.