SCHEMBL6359841

SCHEMBL6359841

CCCCNC(=O)C1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP2D6 P10635 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 2/20 0.49
NAMPT P43490 3/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL6360425 0.90 CHRNB2 (0.46) PKMHTTMAPTHPGDKDM4E
SCHEMBL1193797 0.84 NAMPT (0.50) KMT2AMAPTKDM4EALDH1A1DRD3
SCHEMBL8568425 0.83 MTNR1A (0.51) PKMTSHRHTTKMT2AMAPT
SCHEMBL8568422 0.83 MTNR1A (0.51) PKMTSHRHTTKMT2AMAPT
SCHEMBL8568418 0.83 MTNR1A (0.51) PKMTSHRHTTKMT2AMAPT
SCHEMBL8672028 0.83 TP53 (0.48) TSHRHPGDALDH1A1
SCHEMBL23657649 0.81 HPGD (0.53) KMT2AMAPTHPGDTDP1LMNA
SCHEMBL1193938 0.81 NAMPT (0.45) KMT2ADRD3NAMPTLMNAMEN1
SCHEMBL6937981 0.80 KMT2A (0.71) KMT2APOLBMEN1
SCHEMBL7995096 0.80 KMT2A (0.71) KMT2APOLBMEN1

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
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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 (2 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 PKM 3601/4885TSHR 184/4885HTT 4255/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 PKM 3601/4885TSHR 184/4885HTT 4255/4885

“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.