SCHEMBL968705

SCHEMBL968705

CN1CCCC1(CO)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 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
SCHEMBL157125 1.00 MEN1 (0.39) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL1538392 0.87 MEN1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL156155 0.87 MEN1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL523968 0.86 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL157279 0.86 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL2719213 0.85 CYP3A4 (0.39) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL156223 0.84 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL159477 0.84 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL2811768 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAEPHX1
SCHEMBL5925778 0.82 TDP1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994443-B2 Modified nicotinic compounds and related methods SELECTA BIOSCIENCES, INC. (US) 2018-06-12 US claimed
EP-2640190-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS Selecta Biosciences, Inc. (US) 2013-09-25 EP claimed
WO-2012061717-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS SELECTA BIOSCIENCES, INC. (US) 2012-05-10 WO claimed
JP-2006504654-A 2006-02-09 JP claimed
EP-1523334-A2 HAPTEN-CARRIER CONJUGATES AND USES THEREOF Cytos Biotechnology AG (CH) 2005-04-20 EP claimed
WO-2004009116-A2 HAPTEN-CARRIER CONJUGATES COMPRISING VIRUS LIKE PARTICLES AND USES THEREOF CYTOS BIOTECHNOLOGY AG (CH) 2004-01-29 WO claimed
US-9994443-B2 Modified nicotinic compounds and related methods SELECTA BIOSCIENCES, INC. (US) 2018-06-12 US disclosed
EP-2346528-B1 NICOTINE IMMUNONANOTHERAPEUTICS MASSACHUSETTS INST TECHNOLOGY (US) 2016-04-06 EP disclosed
US-8932595-B2 Nicotine immunonanotherapeutics MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-01-13 US disclosed
US-8591905-B2 Nicotine immunonanotherapeutics THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-11-26 US disclosed
EP-2640190-A1 MODIFIED NICOTINIC COMPOUNDS AND RELATED METHODS Selecta Biosciences, Inc. (US) 2013-09-25 EP disclosed
US-20130142821-A1 Hapten-Carrier Conjugates and Uses Thereof CYTOS BIOTECHNOLOGY AG (CH) 2013-06-06 US disclosed
EP-2313390-B1 PROCESS FOR THE PREPARATION OF NICOTINE-BASED HAPTENS NOVARTIS AG (CH) 2012-09-19 EP disclosed
US-4261893-A INTERMEDIATES IN SYNTHESIS OF CHEMILUMINESCENT-LABELED CONJUGATES USED IN IMMUNOASSAYS MILES LABORATORIES, INC. (US) 1981-04-14 US disclosed
US-4238395-A INTERMEDIATE OF CHEMILUMINESCENT NAPHTHALENE-1,2-DICARBOXYLIC ACID HYDRAZIDE-LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-12-09 US disclosed
US-4226993-A INTERMEDIATES FOR CHEMILUMINESCENT LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-10-07 US disclosed
US-4226992-A INTERMEDIATES FOR CHEMILUMINESCENT LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-10-07 US disclosed
US-4225485-A Chemiluminescent naphthalene-1,2-dicarboxylic acid hydrazide-labeled polypeptides and proteins MILES LABORATORIES, INC. (US) 1980-09-30 US disclosed
US-4213893-A Flavin adenine dinucleotide-labeled conjugates for use in specific binding assays MILES LABORATORIES, INC. (US) 1980-07-22 US disclosed
US-4212805-A INTERMEDIATES OF PHTHALHYDRAZIDE-LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-07-15 US disclosed