SCHEMBL2910101

SCHEMBL2910101

CCCOc1ccc(CCNC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TAAR1 Q96RJ0 4/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLK1 P53350 1/20 0.49
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL2903634 0.93 L3MBTL1 (0.56) L3MBTL1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12377087 0.89 L3MBTL1 (0.57) ACACBL3MBTL1LMNAMAPTNPC1
SCHEMBL10895841 0.85 ALDH1A1 (0.64) ACACBL3MBTL1LMNANPC1ALDH1A1
SCHEMBL2910125 0.85 NQO1 (0.56) ACACBLMNAMAPTNPC1RAB9A
SCHEMBL9439492 0.84 TAAR1 (0.50) ACACBL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL8986177 0.84 LTA4H (0.56) L3MBTL1TAAR1TMEM97SIGMAR1HTR1B
SCHEMBL20172578 0.82 HTR1B (0.55) L3MBTL1LMNASMN1; SMN2ALDH1A1HTR1B
SCHEMBL29642886 0.82 NPC1 (0.54) L3MBTL1NPC1RAB9ATAAR1TMEM97
SCHEMBL5156655 0.82 LMNA (0.65) ACACBL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL13408004 0.81 LMNA (0.53) L3MBTL1LMNAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
US-8008440-B2 Combinatorial synthesis of libraries of macrocyclic compounds useful in drug discovery TRANZYME PHARMA INC. (CA) 2011-08-30 US disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 US disclosed
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 WO disclosed
US-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2007-05-24 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-20070117154-A1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents F2, BCAT1, DAO ACACB 1967/4885L3MBTL1 1819/4885LMNA 167/4885
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX ACACB 2809/4885L3MBTL1 2473/4885LMNA 3377/4885

“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.