SCHEMBL5157052

SCHEMBL5157052

c1ccc2[nH]c(CN3CCN(Cc4nc5ccccc5[nH]4)CCN(Cc4nc5ccccc5[nH]4)CC3)nc2c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.84
DRD4 P21917 14/20 0.80
HPGD P15428 1/20 0.79
DRD2 P14416 2/20 0.74
NPC1 O15118 1/20 0.72
GAA P10253 1/20 0.72
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
CYP3A4 P08684 1/20 0.70
ALOX15 P16050 1/20 0.70
OPRK1 P41145 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
GRM2 Q14416 1/20 0.68
GRIN1 Q05586 1/20 0.68
GRIN2B Q13224 1/20 0.68
HTR1A P08908 1/20 0.67
ADRA2C P18825 1/20 0.67
HTR2A P28223 1/20 0.67

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
SCHEMBL12045417 0.93 HTT (0.97) HTTDRD4HPGDDRD2NPC1
SCHEMBL29368802 0.93 HTT (0.97) HTTDRD4HPGDDRD2NPC1
SCHEMBL5626446 0.92 DRD4 (0.74) HTTDRD4HPGDDRD2NPC1
SCHEMBL5412340 0.92 HTT (0.73) HTTDRD4HPGDDRD2NPC1
SCHEMBL18306556 0.92 HTT (0.73) HTTDRD4HPGDDRD2NPC1
SCHEMBL5412335 0.92 HTT (0.73) HTTDRD4HPGDDRD2NPC1
SCHEMBL15063202 0.92 HTT (1.00) HTTDRD4HPGDDRD2NPC1
SCHEMBL22633621 0.92 HTT (1.00) HTTDRD4HPGDDRD2NPC1
SCHEMBL31010306 0.92 HTT (1.00) HTTDRD4HPGDDRD2NPC1
SCHEMBL31757259 0.91 HTT (0.71) HTTDRD4HPGDDRD2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610641-B2 Transition metal complex UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-08-26 US claimed
US-20020010120-A1 Composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 US claimed
US-11246949-B2 Imaging contrast agents and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-02-15 US disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2016-08-11 US disclosed
US-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-07-10 US disclosed
EP-1499702-B1 DETERGENT COMPOSITIONS AND COMPONENTS THEREOF PROCTER & GAMBLE (US) 2007-01-03 EP disclosed
US-6878680-B2 Detergent compositions and components thereof PROCTER & GAMBLE (US) 2005-04-12 US disclosed
US-20030232734-A1 Detergent compositions and components thereof PROCTER & GAMBLE COMPANY, THE 2003-12-18 US disclosed
US-6610641-B2 Transition metal complex UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-08-26 US disclosed
US-20020010120-A1 Composition and method for bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-24 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 (4 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-20140193344-A1 IMAGING CONTRAST AGENTS AND USES THEREOF SLC40A1, SLC39A14, SLC39A3 HTT 1113/4885DRD4 2023/4885HPGD 327/4885
US-20160228581-A1 MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME ABCB7, FECH, CYC1 HTT 2148/4885DRD4 3359/4885HPGD 196/4885
US-11246949-B2 Imaging contrast agents and uses thereof SLC40A1, SLC39A14, SLC39A3 HTT 1113/4885DRD4 2023/4885HPGD 327/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 HTT 2148/4885DRD4 3359/4885HPGD 196/4885

“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.