SCHEMBL4859756

SCHEMBL4859756

CC(=O)N(C)C1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.55
DRD3 P35462 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ATM Q13315 1/20 0.40
NOTUM Q6P988 2/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL13209058 0.88 NPY5R (0.60) NPY5RDRD3MEN1KMT2ASMN1; SMN2
SCHEMBL14685832 0.82 NPY5R (0.50) NPY5RDRD3MTNR1AMTNR1BHTR1A
SCHEMBL9596997 0.80 DRD3 (0.44) NPY5RDRD3MEN1KMT2ASMN1; SMN2
SCHEMBL27731472 0.78 DRD3 (0.43) NPY5RDRD3MEN1KMT2ASMN1; SMN2
SCHEMBL2310294 0.78 NPY5R (0.47) NPY5RDRD3MTNR1AMTNR1BHTR2A
SCHEMBL5556488 0.77 NPY5R (0.49) NPY5RDRD3
SCHEMBL14590475 0.76 DRD3 (0.49) DRD3MTNR1AMTNR1BHTR1AHTR2A
SCHEMBL8703459 0.76 NPY5R (0.48) NPY5RMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL16067631 0.74 NPY5R (0.43) NPY5RDRD3HTR1AHTR2AHTR2C
SCHEMBL7092682 0.73 DRD3 (0.54) DRD3HTR1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1996021640-A1 OPTICALLY ACTIVE AMINOINDANE DERIVATIVES AND PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-07-18 WO disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 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 (3 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPY5R 3385/4885DRD3 991/4885MEN1 2484/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 NPY5R 3385/4885DRD3 991/4885MEN1 2484/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE NPY5R 3348/4885DRD3 1490/4885MEN1 3753/4885

“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.