SCHEMBL13740618

SCHEMBL13740618

CN(CCCC(N)c1c2ccccc2nc2ccc(Cl)cc12)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KDM1A O60341 2/20 0.37
▸ CACNA2D1 P54289 2/20 0.35
▸ NPY5R Q15761 4/20 0.35
▸ CCR4 P51679 2/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL13740631 0.94 CYP1A2 (0.37) CYP1A2CYP2D6CACNA2D1NPY5RKDM4E
SCHEMBL13739508 0.91 CACNA2D1 (0.41) CACNA2D1NPY5RPOLBKMT2A
SCHEMBL13739819 0.87 PTGDR2 (0.34) CYP1A2CYP2D6CRHR1IDO1KDM4E
SCHEMBL13737764 0.85 USP2 (0.48) CYP1A2CYP2D6KDM4EMEN1ALDH1A1
SCHEMBL15732882 0.82 ANPEP (0.33) CYP1A2CYP2D6CRHR1IDO1KDM4E
SCHEMBL13739384 0.79 USP2 (0.45) CYP1A2CYP2D6KDM4EMEN1ALDH1A1
SCHEMBL15732851 0.79 CHRM2 (0.38) CYP1A2CYP2D6CRHR1KDM4EMEN1
SCHEMBL15732999 0.77 ACHE (0.47) —
SCHEMBL15732853 0.77 ACHE (0.44) —
SCHEMBL13832346 0.77 KMT2A (0.51) CYP1A2KDM1ACACNA2D1MEN1POLB

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 CYP1A2 2734/4885CYP2D6 3224/4885KDM1A 2833/4885
US-20170000784-A1 Autophagy Inhibitors BRAF, HRAS, NRAS CYP1A2 948/4885CYP2D6 2818/4885KDM1A 1747/4885
US-20140148451-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CYP1A2 2734/4885CYP2D6 3224/4885KDM1A 2833/4885
US-20160137607-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CYP1A2 2734/4885CYP2D6 3224/4885KDM1A 2833/4885
US-20180290980-A1 Autophagy Inhibitors BECN1, ATG7, SQSTM1 CYP1A2 2734/4885CYP2D6 3224/4885KDM1A 2833/4885

“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.

Send feedback