SCHEMBL3303333

SCHEMBL3303333

CCNC(=O)CC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.42
TNKS2 Q9H2K2 1/20 0.40
NAMPT P43490 2/20 0.39
CTSD P07339 1/20 0.39
EPHX1 P07099 2/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
DGAT1 O75907 1/20 0.35
MCL1 Q07820 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
FAAH O00519 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL21896864 0.89 NAMPT (0.41) HTTHPGDTNKS2NAMPTCTSD
SCHEMBL12252175 0.86
SCHEMBL10272695 0.85 NAMPT (0.43) HTTHPGDTNKS2NAMPTCTSD
SCHEMBL10170261 0.82 HPGD (0.53) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL21146045 0.82 MCL1 (0.39) HTTHPGDEPHX1KMT2ARAB9A
SCHEMBL14273736 0.80 CACNA1H (0.49) HPGDTNKS2NAMPTCTSDEPHX1
SCHEMBL658991 0.80 HPGD (0.57) HPGDEPHX1KMT2ARAB9ANPC1
SCHEMBL2994943 0.80 TNKS2 (0.42) HPGDTNKS2NAMPTCTSDEPHX1
SCHEMBL5645399 0.77 EPHX1 (0.50) EPHX1KMT2A
SCHEMBL31445968 0.76 TNKS2 (0.36) TNKS2NAMPTCTSDHDAC1HDAC2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970132-B1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF EPIZYME INC (US) 2020-09-23 EP disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-20120196857-A9 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-02 US disclosed
US-20120004226-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-8003660-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-23 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 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 (4 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 HTT 3195/4885HPGD 1197/4885TNKS2 3651/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 HTT 1294/4885HPGD 3745/4885TNKS2 877/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HTT 3195/4885HPGD 1197/4885TNKS2 3651/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 HTT 3195/4885HPGD 1197/4885TNKS2 3651/4885

“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.