SCHEMBL4672020

SCHEMBL4672020

CC(C)(C)Nc1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL4603900 0.82 IDO1 (0.39) ATMIDO1
SCHEMBL7536053 0.80 AR (0.36)
SCHEMBL11238708 0.79 POLB (0.31)
SCHEMBL17133908 0.76
SCHEMBL50034 0.74 TSHR (0.48) ATMIDO1
SCHEMBL28851844 0.74 NPC1 (0.33) ATM
SCHEMBL5983235 0.72 NPC1 (0.48)
Hydrochloric Acid SCHEMBL8602657 0.72 TSHR (0.46) ATMIDO1
SCHEMBL1355877 0.72 ALDH1A1 (0.31)
SCHEMBL27311336 0.71 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326696-B2 Amino-methyl substituted tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2008-02-05 US claimed
EP-1110963-B1 Chlorin- and bacteriochlorin-aminophenylDTPA conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH INC (US) 2004-04-21 EP claimed
US-6534040-B2 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH, INC. 2003-03-18 US claimed
US-20010046983-A1 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH, INC. 2001-11-29 US claimed
EP-1110963-A2 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals HEALTH RESEARCH, INC. (US) 2001-06-27 EP claimed
US-5756527-A ANTICARCINOGENIC AGENTS ONTOGEN CORPORATION (US) 1998-05-26 US claimed
EP-0812830-A1 Modulators of multi-drug resistances ONTOGEN CORPORATION (US) 1997-12-17 EP claimed
CN-108350014-B Aminoglycoside derivatives and their use in the treatment of genetic disorders ELOXX制药有限公司 2022-06-10 CN disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
US-5756527-A ANTICARCINOGENIC AGENTS ONTOGEN CORPORATION (US) 1998-05-26 US disclosed
EP-0812830-A1 Modulators of multi-drug resistances ONTOGEN CORPORATION (US) 1997-12-17 EP disclosed
US-5618980-A DEHYDROGENATING N-CYCLOHEXYLIDENEAMINO COMPOUND IN PRESENCE OF HYDROGEN TRANSFER CATALYST AND HYDROGEN ACCEPTOR AND ALKALI OR ALKALINE EARTH METAL COMPOUND COCATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 US disclosed
EP-0588060-B1 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0753505-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-01-15 EP disclosed
US-5536878-A HYDROGEN ACCEPTOR MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-16 US disclosed
US-5382690-A Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-01-17 US disclosed
EP-0588060-A2 Method for preparing aromatic secondary amino compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-23 EP disclosed
US-4042567-A S-Triazine prepolymers and a process for their production BAYER AKTIENGESELLSCHAFT (DT) 1977-08-16 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 (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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 ATM 3559/4885IDO1 1011/4885
US-20010046983-A1 Chlorin and bacteriochlorin-based aminophenyl DTPA and N2S2 conjugates for MR contrast media and radiopharmaceuticals C1S, IWS1, CTPS2 ATM 620/4885IDO1 408/4885

“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.