SCHEMBL5549999

SCHEMBL5549999

CC(c1ccc(-c2ccc(-c3cncnc3)cc2)cc1)N1CCC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
BMPR1B O00238 4/20 0.35
BMPR1A P36894 4/20 0.35
TGFBR1 P36897 4/20 0.35
ACVRL1 P37023 4/20 0.35
ACVR1 Q04771 4/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD11B1 P28845 4/20 0.34
CHRM2 P08172 3/20 0.34
GHSR Q92847 3/20 0.34
P4HB P07237 1/20 0.34
PHGDH O43175 1/20 0.34
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.33
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5553095 0.79 P4HB (0.45) DPP4DPP8DPP7BMPR1BBMPR1A
SCHEMBL5553097 0.79 P4HB (0.45) DPP4DPP8DPP7BMPR1BBMPR1A
SCHEMBL5553979 0.79 P4HB (0.45) DPP4DPP8DPP7BMPR1BBMPR1A
SCHEMBL5555099 0.78 P4HB (0.47) DPP4DPP8DPP7BMPR1BBMPR1A
SCHEMBL5555096 0.76 DPP4 (0.36) DPP4DPP8DPP7HSD11B1P4HB
SCHEMBL10819303 0.76 CYP2D6 (0.60) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL28219815 0.76 CYP2D6 (0.60) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL5549991 0.75 LTA4H (0.43) P4HBCYP2D6CYP17A1
SCHEMBL5549970 0.68 DPP4 (0.38) DPP4DPP8DPP7P4HBPHGDH
SCHEMBL5553032 0.68 P4HB (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP claimed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 DPP4 729/4885DPP8 1542/4885DPP7 1136/4885

“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.