SCHEMBL10909271

SCHEMBL10909271

O=C1COc2cccc3c2N1CCC3

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
HTR1A P08908 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
ALOX12 P18054 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL11536660 0.90 HTR1A (0.48) CES1HTR1AMEN1KMT2AHTT
SCHEMBL10993454 0.81 CES1 (0.43) CES1HTR1AMEN1KMT2AHTT
SCHEMBL10909007 0.78 NPC1 (0.39) CES1MEN1KMT2AHTTCYP11B1
SCHEMBL1762224 0.78 CES1 (0.57) CES1CYP11B1CYP11B2MAP2K1
SCHEMBL10908994 0.77 KMT2A (0.39) CES1MEN1KMT2AHTTCYP11B1
SCHEMBL9845462 0.77 NPC1 (0.38) CES1CYP11B1CYP11B2
SCHEMBL29876651 0.76 HTR1A (0.37) CES1HTR1AMEN1KMT2AMAP2K1
SCHEMBL988203 0.76 CES1 (0.56) CES1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL10658365 0.75 CES1 (0.51) CES1HTR1AMEN1KMT2AHTT
SCHEMBL9845446 0.75 LMNA (0.36) CES1HTR1AMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
EP-0103797-B1 SUBSTITUTED BENZOXAZINE DERIVATIVES BAYER AG (DE) 1986-11-26 EP disclosed
US-4537888-A Substituted benzoxazine derivatives and fungicidal use BAYER AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
EP-0103797-A2 Substituted benzoxazine derivatives BAYER AG (DE) 1984-03-28 EP 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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 CES1 1634/4885HTR1A 3447/4885MEN1 3840/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 CES1 1634/4885HTR1A 3447/4885MEN1 3840/4885

“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.