SCHEMBL5550006

SCHEMBL5550006

C[C@@H](c1ccc(-c2ccc(-c3ccncc3)cc2)cc1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
RORC P51449 1/20 0.45
AKT1 P31749 4/20 0.45
CYP17A1 P05093 3/20 0.41
MC4R P32245 1/20 0.41
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
DPP4 P27487 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHKA P35790 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BMPR1B O00238 1/20 0.38
ACVR2A P27037 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
TGFBR2 P37173 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
SCHEMBL5553096 1.00 CYP2D6 (0.46) CYP2D6RORCAKT1CYP17A1MC4R
SCHEMBL5550009 1.00 CYP2D6 (0.46) CYP2D6RORCAKT1CYP17A1MC4R
SCHEMBL10839487 0.87 CYP2D6 (0.50) CYP2D6RORCMC4RLTA4HMAPT
SCHEMBL5553979 0.83 P4HB (0.45) CYP2D6RORCCYP17A1MC4RLTA4H
SCHEMBL5553095 0.83 P4HB (0.45) CYP2D6RORCCYP17A1MC4RLTA4H
SCHEMBL5553097 0.83 P4HB (0.45) CYP2D6RORCCYP17A1MC4RLTA4H
SCHEMBL5549957 0.82 OPRD1 (0.46) CYP2D6CYP17A1CHRM2CHRM1ALDH1A1
SCHEMBL5549489 0.82 OPRD1 (0.46) CYP2D6CYP17A1CHRM2CHRM1ALDH1A1
SCHEMBL5553128 0.81 CYP2D6 (0.46) CYP2D6CYP17A1MC4RLTA4HCHRM2
SCHEMBL5555099 0.81 P4HB (0.47) CYP2D6MC4RLTA4HDPP4CHRM2

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 CYP2D6 941/4885RORC 422/4885AKT1 2548/4885

“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.