SCHEMBL5555124

SCHEMBL5555124

CC(c1ccc(-c2ccc(C3CCN(C)CC3)cc2)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
LTA4H P09960 1/20 0.44
CHRM2 P08172 4/20 0.43
CHRM1 P11229 4/20 0.43
QDPR P09417 2/20 0.42
CCR5 P51681 1/20 0.40
LSS P48449 1/20 0.40
CYP2D6 P10635 1/20 0.39
HSD11B1 P28845 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
FLT3 P36888 1/20 0.37
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL5555120 1.00 MC4R (0.45) MC4ROPRM1OPRK1OPRL1LTA4H
SCHEMBL5549205 0.85 CCR5 (0.45) OPRM1OPRK1OPRL1LTA4HCCR5
SCHEMBL5549202 0.85 CCR5 (0.45) OPRM1OPRK1OPRL1LTA4HCCR5
SCHEMBL5549471 0.84 CHRM2 (0.44) OPRM1OPRK1OPRL1LTA4HCHRM2
SCHEMBL5549890 0.84 CHRM2 (0.44) OPRM1OPRK1OPRL1LTA4HCHRM2
SCHEMBL5549475 0.84 CHRM2 (0.44) OPRM1OPRK1OPRL1LTA4HCHRM2
SCHEMBL5553157 0.82 CHRM2 (0.46) OPRM1OPRK1OPRL1LTA4HCHRM2
SCHEMBL5553947 0.81 LTA4H (0.43) MC4ROPRM1OPRK1OPRL1LTA4H
SCHEMBL5553063 0.80 LTA4H (0.42) OPRM1OPRK1OPRL1LTA4HCHRM2
SCHEMBL5553071 0.80 LTA4H (0.42) OPRM1OPRK1OPRL1LTA4HCHRM2

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 6 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
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP disclosed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO disclosed
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 MC4R 49/4885OPRM1 285/4885OPRK1 168/4885

“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.