SCHEMBL2346705

SCHEMBL2346705

OCc1ccccc1N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.52
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
NCF1 P14598 2/20 0.47
GAA P10253 1/20 0.47
KCNQ2 O43526 1/20 0.47
HPGD P15428 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PLA2G1B P04054 1/20 0.43
RAB9A P51151 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HTR7 P34969 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL721985 0.98 NCF1 (0.49) KEAP1MAPK1NPC1FABP3FABP4
Hydrochloric Acid SCHEMBL10710768 0.96 NCF1 (0.47) KEAP1MAPK1NPC1FABP3FABP4
SCHEMBL4960474 0.90 KDM4E (0.52) NCF1KDM4EALDH1A1PLA2G1BRAB9A
Ammonia Solution, Strong SCHEMBL7888875 0.83 KEAP1 (0.47) KEAP1MAPK1NPC1FABP3FABP4
SCHEMBL6514775 0.82 KEAP1 (0.53) KEAP1MAPK1NPC1FABP3FABP4
SCHEMBL12368809 0.81 NCF1 (0.61) MAPK1NCF1KMT2AKDM4EALDH1A1
SCHEMBL2384862 0.81 ADRB1 (0.61) NCF1HPGDKDM4EALDH1A1HTR7
SCHEMBL1715455 0.81 AKR1C3 (0.50) NPC1NCF1KMT2AKDM4EALDH1A1
SCHEMBL12416584 0.81 KDM4E (0.45) NCF1KDM4EALDH1A1PLA2G1BRAB9A
SCHEMBL16814951 0.80 NCF1 (0.70) KEAP1MAPK1NPC1FABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153168-B1 PHACETOPERANE FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER AND SYNTHESIS METHOD NLS PHARMA AG (CH) 2020-02-26 EP disclosed
WO-2017090743-A1 NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2017-06-01 WO disclosed
WO-2013116605-A1 COMPOSITIONS FOR THE TREATMENT OF TUBERCULOSIS AND METHODS OF USING SAME UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-08 WO disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1688138-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2006-08-09 EP 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-20080167378-A1 Receptor Function Regulation Agent GPR119, INSR, GPR88 KEAP1 3047/4885MAPK1 1503/4885NPC1 650/4885

“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.