SCHEMBL6360165

SCHEMBL6360165

CCCNC(=O)c1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HPGD P15428 3/20 0.49
▸ POLB P06746 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ NAAA Q02083 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.45
▸ RECQL P46063 1/20 0.45

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
SCHEMBL6359578 0.91 TSHR (0.71) TSHRHTTHDAC3HDAC1L3MBTL1
SCHEMBL6540287 0.85 HTT (0.57) TSHRHTTL3MBTL1HPGDPOLB
SCHEMBL9489936 0.85 HDAC3 (0.67) TSHRHTTHDAC3HDAC1HPGD
SCHEMBL28961104 0.81 ALOX15 (0.47) HDAC3HDAC1HPGDPOLBALDH1A1
SCHEMBL2728048 0.78 POLB (0.67) TSHRHTTHDAC3HDAC1L3MBTL1
SCHEMBL28113677 0.78 PPIA (0.50) HDAC3HDAC1POLBALDH1A1GAA
SCHEMBL166777 0.76 TSHR (0.62) TSHRHTTL3MBTL1HPGDPOLB
SCHEMBL461599 0.76 HPGD (0.64) TSHRHTTL3MBTL1HPGDALDH1A1
SCHEMBL29315265 0.76 TSHR (0.68) TSHRHTTL3MBTL1HPGDPOLB
SCHEMBL31686014 0.76 HPGD (0.64) TSHRHTTL3MBTL1HPGDALDH1A1

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 TSHR 184/4885HTT 4255/4885HDAC3 843/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 TSHR 184/4885HTT 4255/4885HDAC3 843/4885

“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.

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