SCHEMBL13739508

SCHEMBL13739508

CN(CCCC(N)c1c2ccccc2nc2ccccc12)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 9/20 0.41
▸ NPY5R Q15761 4/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ LTA4H P09960 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
SCHEMBL13740618 0.91 CYP1A2 (0.41) CACNA2D1NPY5RPOLBKMT2A
SCHEMBL13740631 0.91 CYP1A2 (0.37) CACNA2D1NPY5RNPC1POLBRAB9A
SCHEMBL13739819 0.79 PTGDR2 (0.34) NPC1POLBRAB9AKMT2AACHE
SCHEMBL15732882 0.78 ANPEP (0.33) POLBKMT2AADRA2A
SCHEMBL13737764 0.77 USP2 (0.48) NPC1POLBRAB9AKMT2AACHE
SCHEMBL13737750 0.77 LSS (0.38) NPC1POLBRAB9AKMT2AACHE
SCHEMBL4778639 0.76 SLC2A1 (0.48) NPC1POLBSLC2A1APOBEC3ARAD52
SCHEMBL13832348 0.74 SLC2A1 (0.61) CACNA2D1NPC1POLBSLC2A1APOBEC3A
SCHEMBL15732851 0.72 CHRM2 (0.38) NPC1POLBRAB9AKMT2AACHE
SCHEMBL15732853 0.72 ACHE (0.44) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US claimed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US claimed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US claimed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — US claimed
WO-2012154879-A2 AUTOPHAGY INHIBITORS VAN ANDEL RESEARCH INSTITUTE (US) 2012-11-15 — — WO claimed
US-10544100-B2 Autophagy inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-01-28 — — US disclosed
US-20180290980-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2018-10-11 — — US disclosed
US-20170000784-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2017-01-05 — — US disclosed
US-20160137607-A1 Autophagy Inhibitors VAN ANDEL RESEARCH INSTITUTE 2016-05-19 — — US disclosed
US-9221760-B2 Autophagy inhibitors VAN ANDEL RESEARCH INSTITUTE (US) 2015-12-29 — — US disclosed
US-20140148451-A1 Autophagy Inhibitors TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2014-05-29 — — 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 (5 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-10544100-B2 Autophagy inhibitors BECN1, ATG7, SQSTM1 CACNA2D1 4351/4885NPY5R 3648/4885NPC1 66/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS CACNA2D1 3509/4885NPY5R 2499/4885NPC1 1782/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CACNA2D1 4351/4885NPY5R 3648/4885NPC1 66/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CACNA2D1 4351/4885NPY5R 3648/4885NPC1 66/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CACNA2D1 4351/4885NPY5R 3648/4885NPC1 66/4885

“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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