SCHEMBL736823

SCHEMBL736823

[CH]1CCN(C2CCCCC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.45
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ABCB1 P08183 2/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2004934 1.00 SLC18A3 (0.45) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL6378958 1.00 SLC18A3 (0.45) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL736256 0.97 SLC18A3 (0.42) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL2011528 0.93 SLC18A3 (0.41) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL2011143 0.93 SLC18A3 (0.41) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL735809 0.92 L3MBTL3 (0.38) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL2006298 0.91 L3MBTL3 (0.41) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL2003309 0.91 L3MBTL3 (0.41) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL2009840 0.90 L3MBTL3 (0.39) SLC18A3PHGDHMGLLMEN1KMT2A
SCHEMBL2003194 0.88 L3MBTL3 (0.42) SLC18A3MEN1KMT2AL3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP claimed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US claimed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP claimed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US claimed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 WO claimed
CN-103347385-A Diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME 2013-10-09 CN claimed
CN-102153544-A Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2011-08-17 CN claimed
EP-1140839-B1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA LILLY CO ELI (US) 2004-03-17 EP claimed
US-6660739-B1 Heterocyclic amides as inhibitors of factor Xa ELI LILLY AND COMPANY 2003-12-09 US claimed
EP-1140839-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP claimed
WO-2000039092-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO claimed
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 CN disclosed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
CN-110997678-A Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2020-04-10 CN disclosed
EP-1140839-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039092-A1 HETEROCYCLIC AMIDES AS INHIBITORS OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC SLC18A3 14/4885PHGDH 1354/4885MGLL 2720/4885
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 SLC18A3 4771/4885PHGDH 1228/4885MGLL 87/4885

“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.