SCHEMBL5554053

SCHEMBL5554053

Cc1ncc(-c2ccc(-c3ccc(C(C)N4CCCCC4)cc3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.42
ACVR2A P27037 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
ACVRL1 P37023 1/20 0.42
TGFBR2 P37173 1/20 0.42
ACVR1 Q04771 1/20 0.42
ACVR2B Q13705 1/20 0.42
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM2 P08172 4/20 0.39
CHRM1 P11229 4/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL5554000 0.98 BMPR1B (0.43) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5555173 0.84 BMPR1B (0.42) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5553919 0.84 BMPR1B (0.42) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5553981 0.84 BMPR1B (0.42) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5549358 0.84 BMPR1B (0.44) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5553102 0.84 BMPR1B (0.42) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5555099 0.83 P4HB (0.47) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5549884 0.82 BMPR1B (0.41) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5555155 0.81 CNR2 (0.36) BMPR1BACVR2ABMPR1AACVR1BTGFBR1
SCHEMBL5553097 0.81 P4HB (0.45) BMPR1BACVR2ABMPR1AACVR1BTGFBR1

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 3 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 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 BMPR1B 2104/4885ACVR2A 2208/4885BMPR1A 1657/4885

“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.