SCHEMBL9694832

SCHEMBL9694832

CCCN(CCC)C(=O)c1ccc(C(=O)N(CCC)CCC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.72
EGFR P00533 2/20 0.68
ERBB2 P04626 2/20 0.68
TP53 P04637 1/20 0.63
HPGD P15428 5/20 0.59
GABRA1 P14867 1/20 0.57
GABRB2 P47870 1/20 0.57
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 1/20 0.51
LIMK1 P53667 1/20 0.48
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL26313600 0.92 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL4489409 0.92 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL7967022 0.92 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL26314066 0.92 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL5543209 0.90 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL10777907 0.90 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL7454658 0.90 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL21077862 0.90 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL10488234 0.90 MLYCD (0.62) MLYCDEGFRERBB2TP53HPGD
SCHEMBL15221192 0.90 MLYCD (0.67) MLYCDEGFRERBB2TP53HPGD

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
EP-3068762-B1 METAL COMPLEXES AND METHODS OF TREATMENT COLLABORATIVE MEDICINAL DEV LLC (US) 2019-12-25 EP claimed
WO-2018222572-A1 NON-COVALENT DERIVATIVES AND METHODS OF TREATMENT WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2018-12-06 WO claimed
US-20160271175-A1 Metal Complexes and Methods of Treatment PROCYPRA THERAPEUTICS LLC (US) 2016-09-22 US claimed
EP-3068762-A2 METAL COMPLEXES AND METHODS OF TREATMENT Collaborative Medicinal Development, LLC (US) 2016-09-21 EP claimed
WO-2015070177-A2 METAL COMPLEXES AND METHODS OF TREATMENT COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2015-05-14 WO claimed
US-11266686-B2 Metal complexes and methods of treatment PROCYPRA THERAPEUTICS LLC (US) 2022-03-08 US disclosed
EP-3068762-B1 METAL COMPLEXES AND METHODS OF TREATMENT COLLABORATIVE MEDICINAL DEV LLC (US) 2019-12-25 EP disclosed
WO-2018222572-A1 NON-COVALENT DERIVATIVES AND METHODS OF TREATMENT WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC (US) 2018-12-06 WO disclosed
US-20160271175-A1 Metal Complexes and Methods of Treatment PROCYPRA THERAPEUTICS LLC (US) 2016-09-22 US disclosed
EP-3068762-A2 METAL COMPLEXES AND METHODS OF TREATMENT Collaborative Medicinal Development, LLC (US) 2016-09-21 EP disclosed
WO-2015070177-A2 METAL COMPLEXES AND METHODS OF TREATMENT COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2015-05-14 WO disclosed
EP-0492823-A2 Perfluorinated t-amino cyclic ethers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-07-01 EP disclosed
US-4665410-A THERMOGRAPHY RICOH COMPANY, LTD. (JP) 1987-05-12 US disclosed
US-4663641-A LEUCO DYES; DECOLORIZING AGENTS, PIPERAZINE COMPOUND; AMIDES AND TERTIARY AMINES RICOH COMPANY, LTD. (JP) 1987-05-05 US disclosed
US-4613878-A DECOLORIZING AGENT COMPRISING AROMATIC DIAMIDE OR PIPERAZINE DERIVATIVE, HAVING TWO ACYLAMINO GROUPS RICOH COMPANY, LTD. (JP) 1986-09-23 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-11266686-B2 Metal complexes and methods of treatment NLN, PNMT, BDNF MLYCD 1726/4885EGFR 1567/4885ERBB2 1196/4885
US-20160271175-A1 Metal Complexes and Methods of Treatment NLN, PNMT, BDNF MLYCD 1726/4885EGFR 1567/4885ERBB2 1196/4885

“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.