SCHEMBL67323

SCHEMBL67323

CC(C)(C)N(C(=O)O)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
RIPK1 Q13546 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 2/20 0.38
PARP1 P09874 1/20 0.38
PTGES O14684 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
TGM2 P21980 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 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
SCHEMBL1555330 0.81 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1PARP1LMNA
SCHEMBL16400629 0.80 NCEH1 (0.43) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL1025144 0.79 SCN2A (0.39) SMN1; SMN2KMT2AMEN1LMNANPSR1
SCHEMBL7379122 0.79 RXRA (0.45) GAASMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL17728900 0.79 HTR3E (0.44) RIPK1GAASMN1; SMN2KMT2AMEN1
SCHEMBL1026693 0.79 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL9995385 0.79 CYP3A4 (0.35) SMN1; SMN2KMT2AMEN1RAB9ALMNA
SCHEMBL7034982 0.79 KMT2A (0.47) RIPK1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL2115382 0.79 CRHBP (0.43) RIPK1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL29045166 0.79 AKR1C3 (0.40) SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12457894-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2025-10-28 US disclosed
US-20190280222-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-12 US disclosed
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-20110136781-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-06-09 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
US-7164018-B2 Polymers based on N-carbamyl-N'-dimethylsilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-16 US disclosed
US-20040186243-A1 Polymers based on N-carbamyl-N'-dimethylsilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-09-23 US disclosed
US-6740712-B2 SILICON LINKERS BASED ON CARBAMYL PIPERAZINE MOIETY; USE IN SOLID PHASE SYNTHESIS OF COMPOUNDS OR LIBRARIES OF COMPOUNDS EMBRACING A PHENYL RING IN THEIR STRUCTURE BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-25 US disclosed
EP-1360211-A2 NEW POLYMERS BASED ON N-CARBAMYL-N'-DIMETHYLSILYL METHYL-PIPERAZINE TRACELESS LINKERS FOR THE SOLID PHASE SYNTHESIS OF PHENYL BASED LIBRARIES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-29 US disclosed
WO-2002060960-A2 NEW POLYMERS BASED ON N-CARBAMYL-N'-DIMETHYLSILYL METHYL-PIPERAZINE TRACELESS LINKERS FOR THE SOLID PHASE SYNTHESIS OF PHENYL BASED LIBRARIES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-08 WO 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-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR MTNR1A 1245/4885MTNR1B 1068/4885RIPK1 3414/4885
US-20190280222-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, OCIAD1, ORC3 MTNR1A 1731/4885MTNR1B 2164/4885RIPK1 2162/4885
US-20020120072-A1 Polymers based on N-carbamyl-N'-dimethysilyl methyl-piperazine traceless linkers for the solid phase synthesis of phenyl based libraries DOT1L, DNMT3L, SMYD2 MTNR1A 4360/4885MTNR1B 3945/4885RIPK1 1320/4885
US-20110136781-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS ERBB2, MERTK, ABL1 MTNR1A 926/4885MTNR1B 688/4885RIPK1 870/4885
US-12457894-B2 Organometallic compound and organic light-emitting device including the same CRY1, OCIAD1, ORC3 MTNR1A 1731/4885MTNR1B 2164/4885RIPK1 2162/4885

“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.