SCHEMBL5553979

SCHEMBL5553979

C[C@@H](c1ccc(-c2ccc(-c3cncnc3)cc2)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.45
CYP2D6 P10635 1/20 0.43
LTA4H P09960 1/20 0.39
BMPR1B O00238 1/20 0.39
ACVR2A P27037 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
TGFBR2 P37173 1/20 0.39
ACVR1 Q04771 1/20 0.39
ACVR2B Q13705 1/20 0.39
MC4R P32245 1/20 0.39
ATM Q13315 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
OGA O60502 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
SCHEMBL5553097 1.00 P4HB (0.45) P4HBCYP2D6LTA4HBMPR1BACVR2A
SCHEMBL5553095 1.00 P4HB (0.45) P4HBCYP2D6LTA4HBMPR1BACVR2A
SCHEMBL5555099 0.98 P4HB (0.47) P4HBCYP2D6LTA4HBMPR1BACVR2A
SCHEMBL5553032 0.86 P4HB (0.37) P4HBCYP2D6LTA4HBMPR1BACVR2A
SCHEMBL5549991 0.86 LTA4H (0.43) P4HBCYP2D6LTA4HMC4ROGA
SCHEMBL5553047 0.85 PDE3B (0.44) P4HBCYP2D6LTA4HBMPR1BACVR2A
SCHEMBL5553125 0.85 P4HB (0.39) P4HBCYP2D6LTA4HBMPR1BACVR2A
SCHEMBL5555118 0.84 AKR1C3 (0.42) P4HBBMPR1BACVR2ABMPR1AACVR1B
SCHEMBL5549894 0.84 AKR1C3 (0.44) P4HBCYP2D6BMPR1BACVR2ABMPR1A
SCHEMBL5553105 0.84 P4HB (0.40) P4HBBMPR1BACVR2ABMPR1AACVR1B

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 P4HB 4624/4885CYP2D6 941/4885LTA4H 472/4885

“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.