SCHEMBL5793129

SCHEMBL5793129

C1=C(C(Cc2ccccc2)N2C[C@@H]3[C@@H](COCCCN4CCCCC4)[C@@H]3C2)OCO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
HRH1 P35367 3/20 0.39
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
CYP2C9 P11712 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL15961230 0.75 SIGMAR1 (0.52) SIGMAR1RAB9ASMN1; SMN2CYP2C9CYP1A2
SCHEMBL5793108 0.75 HRH3 (0.58) HRH3HRH1DRD2SIGMAR1
SCHEMBL5793105 0.75 HRH3 (0.58) HRH3HRH1DRD2SIGMAR1
SCHEMBL5793110 0.75 HRH3 (0.58) HRH3HRH1DRD2SIGMAR1
SCHEMBL5796114 0.75 HRH3 (0.58) HRH3HRH1DRD2SIGMAR1
SCHEMBL5793700 0.74 HRH3 (0.64) HRH3HRH1SIGMAR1
SCHEMBL5908079 0.74 HRH3 (0.64) HRH3HRH1SIGMAR1
SCHEMBL5794553 0.72 HRH3 (0.53) HRH3DRD2SIGMAR1
SCHEMBL2316904 0.70 SIGMAR1 (0.47) HRH3DRD4SIGMAR1CYP1A2CYP3A4
SCHEMBL597326 0.70 SLC6A4 (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2CYP2C9

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
WO-2006024955-A1 AZABICYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-03-09 WO claimed
US-20060047114-A1 Azabicyclic amine histamine-3 receptor antagonists PFIZER INC 2006-03-02 US claimed
WO-2006024955-A1 AZABICYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-03-09 WO disclosed
US-20060047114-A1 Azabicyclic amine histamine-3 receptor antagonists PFIZER INC 2006-03-02 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-20060047114-A1 Azabicyclic amine histamine-3 receptor antagonists HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885DRD2 125/4885

“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.