SCHEMBL384299

SCHEMBL384299

OCC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
YTHDC1 Q96MU7 1/20 0.49
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GRIN2B Q13224 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACKR3 P25106 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
CCR5 P51681 1/20 0.38
SLC18A3 Q16572 1/20 0.38
G6PC1 P35575 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL384300 1.00 SLC6A2 (0.49) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL481896 1.00 SLC6A2 (0.49) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL28018410 0.90 YTHDC1 (0.43) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL26038459 0.90 YTHDC1 (0.43) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL28018409 0.90 YTHDC1 (0.43) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL26038458 0.90 YTHDC1 (0.43) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL3376962 0.87 YTHDC1 (0.58) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL15689071 0.84 SLC6A2 (0.43) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL20223877 0.84 SLC6A2 (0.43) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A
SCHEMBL7921383 0.83 YTHDC1 (0.45) SLC6A2SLC6A4YTHDC1SLC6A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370375-B2 Heterocyclyl-substituted cyclohexylsulfonamides as JAK inhibitors ELANCO TIERGESUNDHEIT AG (US) 2019-08-06 US disclosed
CN-110072857-A 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2019-07-30 CN disclosed
US-20180346465-A1 New Compounds ELANCO TIERGESUNDHEIT AG (US) 2018-12-06 US disclosed
EP-3122731-B1 CYCLOHEXYLMETHANSULFONAMIDES ELANCO TIERGESUNDHEIT AG (CH) 2018-10-10 EP disclosed
US-10059709-B2 Compounds ELANCO TIERGESUNDHEIT AG (CH) 2018-08-28 US disclosed
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-20170050965-A1 New Compounds ELANCO TIERGESUNDHEIT AG (CH) 2017-02-23 US disclosed
EP-3122731-A1 NEW COMPOUNDS Novartis Tiergesundheit AG (CH) 2017-02-01 EP disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
EP-0996446-A4 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP disclosed
EP-0996446-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-03 EP disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed
WO-1999001131-A1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 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 (8 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 SLC6A2 2204/4885SLC6A4 2641/4885YTHDC1 1952/4885
US-20180346465-A1 New Compounds HLA-DRB1, SLC10A1, NFATC1 SLC6A2 1934/4885SLC6A4 1727/4885YTHDC1 4357/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 SLC6A2 2558/4885SLC6A4 1592/4885YTHDC1 4368/4885
US-10370375-B2 Heterocyclyl-substituted cyclohexylsulfonamides as JAK inhibitors JAK1, JAK3, JAK2 SLC6A2 3819/4885SLC6A4 3301/4885YTHDC1 3534/4885
US-20170050965-A1 New Compounds HLA-DRB1, SLC10A1, NFATC1 SLC6A2 1935/4885SLC6A4 1721/4885YTHDC1 4373/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 SLC6A2 2386/4885SLC6A4 2619/4885YTHDC1 2199/4885
US-10059709-B2 Compounds HLA-DRB1, SLC10A1, ITCH SLC6A2 1774/4885SLC6A4 1780/4885YTHDC1 4122/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 SLC6A2 2246/4885SLC6A4 2788/4885YTHDC1 1916/4885

“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.