SCHEMBL4617636

SCHEMBL4617636

C#CCNCC1=Cc2ccccc2Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.40
DRD4 P21917 7/20 0.40
GPR84 Q9NQS5 1/20 0.36
PYCR1 P32322 1/20 0.34
MAOB P27338 5/20 0.33
MAOA P21397 4/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
Hydrochloric Acid SCHEMBL7769530 0.99 DRD2 (0.39) DRD2DRD4GPR84PYCR1MAOB
SCHEMBL8892605 0.86 DRD2 (0.40) DRD2DRD4GPR84TP53CYP1A2
SCHEMBL6046749 0.82 PYCR1 (0.32) PYCR1MAOBMAOA
SCHEMBL5953124 0.81 DRD2 (0.40) DRD2DRD4GPR84MAOBMAOA
SCHEMBL5953729 0.80 DRD2 (0.44) DRD2DRD4GPR84TP53CYP1A2
Hydrochloric Acid SCHEMBL9056904 0.80 DRD2 (0.40) DRD2DRD4GPR84MAOBMAOA
SCHEMBL5953495 0.79 TP53 (0.40) DRD2DRD4GPR84MAOATP53
SCHEMBL5953253 0.79 KMT2A (0.40) DRD2DRD4GPR84MAPT
SCHEMBL5953330 0.77 DRD2 (0.40) DRD2DRD4GPR84LMNA
Hydrochloric Acid SCHEMBL7773505 0.76 DRD2 (0.42) DRD2DRD4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100269-A1 Use of 10-aminoaliphatyl-dibenz[b,f]oxepines for the treatment of degenerative ocular disorders LAMBROU GEORGE N 2006-05-11 US claimed
EP-1589963-A1 USE OF 10-AMINOALIPHATYL-DIBENZ B,F OXEPINES FOR THE TR EATMENT OF DEGENERATIVE OCULAR DISORDERS Novartis AG (CH) 2005-11-02 EP claimed
WO-2004066993-A1 USE OF 10-AMINOALIPHATYL-DIBENZ[B,F]OXEPINES FOR THE TREATMENT OF DEGENERATIVE OCULAR DISORDERS NOVARTIS AG (CH) 2004-08-12 WO claimed
EP-0726265-B1 10-Aminoaliphatyl-dibenz(b,f)oxepins with antineurodegenarative activity NOVARTIS AG (CH) 2001-07-25 EP claimed
EP-1890739-A1 COMPOSITIONS AND METHODS FOR TREATING DIVERTICULAR DISEASE ANGIOTECH INTERNATIONAL AG (CH) 2008-02-27 EP disclosed
US-20060286167-A1 Compositions and methods for the treatment of neurodegenerative diseases STAUNTON JANE 2006-12-21 US disclosed
US-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases COMBINATORX, INC. 2006-11-30 US disclosed
WO-2006124021-A1 COMPOSITIONS AND METHODS FOR TREATING DIVERTICULAR DISEASE ANGIOTECH INTERNATIONAL AG (CH) 2006-11-23 WO disclosed
WO-2006119329-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed
EP-1691852-A2 MEDICAL IMPLANTS AND FIBROSIS-INDUCING AGENTS Angiotech International AG (CH) 2006-08-23 EP disclosed
US-20060100269-A1 Use of 10-aminoaliphatyl-dibenz[b,f]oxepines for the treatment of degenerative ocular disorders LAMBROU GEORGE N 2006-05-11 US disclosed
EP-1589963-A1 USE OF 10-AMINOALIPHATYL-DIBENZ B,F OXEPINES FOR THE TR EATMENT OF DEGENERATIVE OCULAR DISORDERS Novartis AG (CH) 2005-11-02 EP disclosed
US-20050222269-A1 Use of deprenyl compounds to treat viral infections and reduce tissue damage associated therewith TATTON WILLIAM G 2005-10-06 US disclosed
WO-2005065079-A2 MEDICAL IMPLANTS AND FIBROSIS-INDUCING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-07-21 WO disclosed
WO-2005046746-A2 MEDICAL IMPLANTS AND FIBROSIS-INDUCING AGENTS ANGIOTECH INTERNATIONAL AG (CH) 2005-05-26 WO disclosed
WO-2004066993-A1 USE OF 10-AMINOALIPHATYL-DIBENZ[B,F]OXEPINES FOR THE TREATMENT OF DEGENERATIVE OCULAR DISORDERS NOVARTIS AG (CH) 2004-08-12 WO disclosed
US-20020137786-A1 DEPRENYL COMPOUNDS TO TREAT VIRAL INFECTIONS AND REDUCE TISSUE DAMAGE ASSOCIATED THEREWITH TATTON WILLIAM G (US) 2002-09-26 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-20060270742-A1 Compositions and methods for the treatment of neurodegenerative diseases PSEN2, PSEN1, HTT DRD2 3652/4885DRD4 2863/4885GPR84 3741/4885
US-20060100269-A1 Use of 10-aminoaliphatyl-dibenz[b,f]oxepines for the treatment of degenerative ocular disorders DBH, MAOB, AADAT DRD2 28/4885DRD4 79/4885GPR84 209/4885
US-20020137786-A1 DEPRENYL COMPOUNDS TO TREAT VIRAL INFECTIONS AND REDUCE TISSUE DAMAGE ASSOCIATED THEREWITH DIMT1, DUT, EIF2AK2 DRD2 1906/4885DRD4 829/4885GPR84 3564/4885
US-20050222269-A1 Use of deprenyl compounds to treat viral infections and reduce tissue damage associated therewith IDO1, DIMT1, DNPEP DRD2 2098/4885DRD4 1077/4885GPR84 3405/4885

“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.