SCHEMBL3270695

SCHEMBL3270695

CCNC(=O)C1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HPGD P15428 6/20 0.50
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALPG P10696 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL21941834 1.00 TSHR (0.51) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL22787761 0.94 TSHR (0.47) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL22787764 0.94 TSHR (0.47) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL17682476 0.90
SCHEMBL24177181 0.85 POLB (0.55) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL6360835 0.85 POLB (0.55) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL24177180 0.82 HPGD (0.62) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL21941760 0.82 HPGD (0.62) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL5963073 0.81 POLB (0.48) TSHRHPGDALDH1A1TP53SMN1; SMN2
SCHEMBL21880364 0.81 HPGD (0.57) HPGDALDH1A1TP53SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 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 (7 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-20190040080-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 TSHR 4715/4885HPGD 3276/4885ALDH1A1 2360/4885
US-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885HPGD 1197/4885ALDH1A1 2356/4885
US-10246469-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 TSHR 4715/4885HPGD 3276/4885ALDH1A1 2360/4885
US-20120004226-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885HPGD 1197/4885ALDH1A1 2356/4885
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 TSHR 365/4885HPGD 1470/4885ALDH1A1 1706/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TSHR 4853/4885HPGD 3745/4885ALDH1A1 3957/4885
US-20120196857-A9 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885HPGD 1197/4885ALDH1A1 2356/4885

“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.