SCHEMBL509770

SCHEMBL509770

CN1CCCCC1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL3 Q96JM7 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ CHRM2 P08172 2/20 0.39
▸ SLC18A3 Q16572 1/20 0.39
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL11069163 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL17520885 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL17521190 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL5310242 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL23491287 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL24914761 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL19343098 1.00 L3MBTL3 (0.46) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
Hydrochloric Acid SCHEMBL11869519 0.98 L3MBTL3 (0.44) L3MBTL3CYP1A2ALDH1A1L3MBTL1OPRM1
SCHEMBL10948177 0.97 L3MBTL3 (0.47) L3MBTL3ALDH1A1L3MBTL1OPRM1OPRL1
SCHEMBL19343093 0.97 L3MBTL3 (0.47) L3MBTL3ALDH1A1L3MBTL1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 — — WO disclosed
CN-106744853-B A kind of graphene/black phosphorus nanometer sheet/nitrogen containing plasma liquid composite aerogel and preparation method thereof 深圳大学 2019-04-26 — — CN disclosed
CN-106744854-B A kind of graphene/black phosphorus quantum dot/nitrogen containing plasma liquid composite aerogel and preparation method thereof 深圳大学 2019-04-26 — — CN disclosed
CN-106794999-B molecular sieve SSZ-101 雪佛龙美国公司 2018-09-04 — — CN disclosed
CN-106795000-B The method for preparing zeolite SSZ-52 雪佛龙美国公司 2018-09-04 — — CN disclosed
CN-107416784-A A kind of two-dimentional black phosphorus nanometer sheet and its liquid phase strip preparation method 深圳大学 2017-12-01 — — CN disclosed
CN-106744854-A A kind of Graphene/black phosphorus quantum dot/nitrogen containing plasma liquid composite aerogel and preparation method thereof 深圳大学 2017-05-31 — — CN disclosed
CN-106744853-A A kind of Graphene/black phosphorus nanometer sheet/nitrogen containing plasma liquid composite aerogel and preparation method thereof 深圳大学 2017-05-31 — — CN disclosed
CN-106794999-A Molecular sieve SSZ 101 雪佛龙美国公司 2017-05-31 — — CN disclosed
CN-106795001-A The method for preparing zeolite SSZ 52 using the structure directing agent for calculating prediction 雪佛龙美国公司 2017-05-31 — — CN disclosed
CN-106795000-A The method for preparing zeolite SSZ 52 雪佛龙美国公司 2017-05-31 — — CN disclosed
EP-2758034-A1 COMPOSITIONS AND METHODS FOR MOLECULAR IMAGING OF OXYGEN METABOLISM Rockland Technimed Ltd. (US) 2014-07-30 — — EP disclosed
WO-2013043236-A1 COMPOSITIONS AND METHODS USEFUL FOR REALTIME IN SITU PHYSIOLOGICAL MOLECULAR IMAGING OF OXYGEN METABOLISM ROCKLAND TECHNIMED, LTD. (US) 2013-03-28 — — WO disclosed
WO-2013044186-A1 COMPOSITIONS AND METHODS FOR MOLECULAR IMAGING OF OXYGEN METABOLISM ROCKLAND TECHNIMED, LTD. (US) 2013-03-28 — — WO disclosed
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 — — US 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 (1 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR L3MBTL3 4749/4885CYP1A2 252/4885ALDH1A1 119/4885

“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.

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