SCHEMBL2182156

SCHEMBL2182156

O=C(OCI)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL2184177 0.89 L3MBTL1 (0.51) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL27364470 0.83 CCR6 (0.55) LMNAALDH1A1NPSR1TSHRKMT2A
SCHEMBL15632982 0.82 NPC1 (0.61) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9278775 0.81 ALDH1A1 (0.64) LMNAALDH1A1NPSR1TSHRNPC1
SCHEMBL2182432 0.81 LMNA (0.49) LMNAALDH1A1NPSR1TSHRNPC1
SCHEMBL2182161 0.81 CCR6 (0.50) LMNAALDH1A1NPSR1TSHRKMT2A
Carbamic Acid SCHEMBL29254315 0.79 CCR6 (0.51) LMNAALDH1A1NPSR1KMT2ATDP1
SCHEMBL4017485 0.77 ALDH1A1 (0.50) LMNAALDH1A1NPSR1TSHRMEN1
SCHEMBL4018145 0.77 LMNA (0.56) LMNAALDH1A1NPSR1TSHRNPC1
SCHEMBL9762769 0.77 LMNA (0.52) LMNAALDH1A1NPSR1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521711-B1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2017-08-16 EP disclosed
US-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
EP-2521711-A1 QUATERNARY AMMONIUM SALT PRODRUGS Alkermes, Inc. (US) 2012-11-14 EP disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
WO-2011084846-A1 QUATERNARY AMMONIUM SALT PRODRUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084849-A1 DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084850-A1 PRODRUGS FOR THE TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISEASE ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084850-A1 PRODRUGS FOR THE TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISEASE ALKERMES, INC. (US) 2011-07-14 WO disclosed
WO-2011084851-A1 ASENAPINE PRODURUGS ALKERMES, INC. (US) 2011-07-14 WO disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 LMNA 2321/4885ALDH1A1 74/4885NPSR1 942/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B LMNA 1099/4885ALDH1A1 432/4885NPSR1 113/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB LMNA 1728/4885ALDH1A1 307/4885NPSR1 991/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B LMNA 3322/4885ALDH1A1 760/4885NPSR1 236/4885

“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.