SCHEMBL3863339

SCHEMBL3863339

Ic1ccc(CN2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.78
HRH4 Q9H3N8 1/20 0.69
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 3/20 0.67
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NCF1 P14598 1/20 0.55
MEN1 O00255 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL1640969 0.98 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.89 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7468055 0.86 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL11201497 0.86 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL11196296 0.84 HRH3 (0.90) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL22711469 0.83 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL16299408 0.81 CHKA (0.75) HRH3KDM4ENCF1
SCHEMBL2088589 0.81 HRH3 (0.52) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL1276590 0.80 ALDH1A1 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL22711410 0.80 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4ECYP2D6

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
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP claimed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO claimed
CN-106061977-B 1, 2-dihydro-3H-pyrrolo [1,2-C ] imidazol-3-one derivatives and their use as antibacterial agents 爱杜西亚药品有限公司 2018-10-26 CN disclosed
EP-3322450-A1 DETECTION AND TREATMENT OF RENAL CELL CARCINOMA WITH A SLC6A3 LIGAND LINKED TO A LABEL, CYTOTOXIC OR IMMUNOMODULATORY GROUP Akuru Pharma AB (SE) 2018-05-23 EP disclosed
WO-2017009084-A1 DETECTION AND TREATMENT OF RENAL CELL CARCINOMA WITH A SLC6A3 LIGAND LINKED TO A LABEL, CYTOTOXIC OR IMMUNOMODULATORY GROUP AKURU PHARMA AB (SE) 2017-01-19 WO disclosed
EP-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 EP disclosed
US-7638505-B2 Organophosphoric derivatives useful as anti-parasitic agents UNIVERSITEIT GENT (BE) 2009-12-29 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents UNIVERSITEIT GENT (BE) 2008-12-18 US disclosed
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
CN-1688545-A phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO 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-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents SUB1, CBR1, NAT1 HRH3 61/4885HRH4 120/4885ALDH1A1 1560/4885
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A HRH3 1493/4885HRH4 632/4885ALDH1A1 221/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HRH3 129/4885HRH4 83/4885ALDH1A1 4302/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A HRH3 1493/4885HRH4 632/4885ALDH1A1 221/4885

“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.