SCHEMBL7102273

SCHEMBL7102273

Fc1ccc(CC2=NCCCN2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.46
TAAR1 Q96RJ0 5/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
CYP2D6 P10635 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
HTR1B P28222 5/20 0.43
NFKB1 P19838 1/20 0.42
RAD52 P43351 1/20 0.40
PTGIR P43119 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL7011091 0.82 HTR1D (0.48) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7009355 0.82 HTR1D (0.47) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7006746 0.77 HTR1D (0.47) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7115844 0.75 TAAR1 (0.56) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL4036369 0.74 HTR1D (0.60) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL4036373 0.74 RAD52 (0.68) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7005260 0.74 TAAR1 (0.58) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL11597510 0.74 TAAR1 (0.79) HTR1DTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7009403 0.72 TAAR1 (0.47) HTR1DTAAR1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL11170308 0.72 TAAR1 (0.80) HTR1DTAAR1ADRA2AADRA2BADRA2C

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
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US claimed
US-20030100769-A1 Cyclic amidine compounds DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-05-29 US disclosed
EP-1280793-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2003-02-05 EP disclosed
WO-2001081334-A2 CYCLIC AMIDINE COMPOUNDS AND THEIR USE AS ALPHA4BETA2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS SUNTORY LIMITED (JP) 2001-11-01 WO 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-20030100769-A1 Cyclic amidine compounds CHRM1, CHRM5, CCKAR HTR1D 251/4885TAAR1 65/4885ADRA2A 262/4885

“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.