SCHEMBL736256

SCHEMBL736256

[CH]1CCN(C2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.42
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR6 P50406 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6378958 0.97 SLC18A3 (0.45) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL2004934 0.97 SLC18A3 (0.45) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL736823 0.97 SLC18A3 (0.45) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL735809 0.94 L3MBTL3 (0.38) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL2009840 0.93 L3MBTL3 (0.39) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL2003194 0.91 L3MBTL3 (0.42) SLC18A3L3MBTL3L3MBTL1HTR6MEN1
SCHEMBL2011528 0.91 SLC18A3 (0.41) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL2011143 0.91 SLC18A3 (0.41) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL2003309 0.89 L3MBTL3 (0.41) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1
SCHEMBL2006298 0.89 L3MBTL3 (0.41) SLC18A3PHGDHMGLLL3MBTL3L3MBTL1

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 90 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
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 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-9346820-B2 HIV-1 protease inhibitors having gem-di-fluoro bicyclic P2-ligands PURDUE RESEARCH FOUNDATION (US) 2016-05-24 US claimed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US claimed
US-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 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
US-9024038-B2 Compunds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2015-05-05 US claimed
CN-102153544-B Preparation method and application of novel tyrosine kinase inhibitors SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2015-04-29 CN claimed
US-20150072958-A1 HIV-1 PROTEASE INHIBITORS HAVING GEM-DI-FLUORO BICYCLIC P2-LIGANDS PURDUE RESEARCH FOUNDATION 2015-03-12 US claimed
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO claimed
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV PURDUE RESEARCH FOUNDATION 2013-10-31 US 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-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN claimed
EP-1667647-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP claimed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US claimed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed

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-20150225414-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP SLC18A3 3090/4885PHGDH 898/4885MGLL 442/4885
US-20130289067-A1 COMPOUNDS AND METHODS FOR TREATING HIV SERPINB1, HPN, DNPEP SLC18A3 3090/4885PHGDH 898/4885MGLL 442/4885
US-20150072958-A1 HIV-1 PROTEASE INHIBITORS HAVING GEM-DI-FLUORO BICYCLIC P2-LIGANDS PREP, DPEP1, BACE1 SLC18A3 721/4885PHGDH 1003/4885MGLL 257/4885
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 SLC18A3 3936/4885PHGDH 4080/4885MGLL 1121/4885
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.