SCHEMBL6199530

SCHEMBL6199530

Cc1ccc(-c2ccc(C3CCN(CCCN)CC3)c(C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
SLC6A4 P31645 2/20 0.41
BRD4 O60885 4/20 0.39
TAF1 P21675 4/20 0.39
ATAD2 Q6PL18 4/20 0.39
SYK P43405 2/20 0.38
TLR9 Q9NR96 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL6967140 0.82 OPRL1 (0.51) DRD4DRD2DRD3SLC6A4
SCHEMBL6790045 0.76 DRD4 (0.49) DRD4DRD2DRD3SLC6A4
SCHEMBL24069024 0.74 DRD2 (0.42) DRD4DRD2DRD3SLC6A4BRD4
SCHEMBL13724389 0.74 DRD2 (0.41) DRD4DRD2DRD3SLC6A4SIGMAR1
SCHEMBL7653412 0.73 DRD2 (0.52) DRD4DRD2DRD3SIGMAR1
SCHEMBL7531102 0.72 SIGMAR1 (0.42) DRD4DRD2DRD3SLC6A4SIGMAR1
SCHEMBL3107904 0.72 SLC6A4 (0.44) DRD4DRD2DRD3SLC6A4
Hydrochloric Acid SCHEMBL6710614 0.71 SLC6A4 (0.43) DRD4DRD2DRD3SLC6A4
SCHEMBL11825969 0.69 OPRL1 (0.51) DRD4DRD2SLC6A4
Hydrochloric Acid SCHEMBL6197567 0.69 HTR2C (0.56) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-11-13 US disclosed
US-6531471-B2 Antagonists for human alpha 1a receptors; lowering intraocular pressure; inhibiting cholesterol synthesis; relaxing lower urinary tract tissue; treatment of benign prostatic hyperplasia, impotency, cardiac arrhythmia, etc. SYNAPTIC PHARMACEUTICAL CORPORATION 2003-03-11 US disclosed
US-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARAMCEUTICAL CORPORATION 2002-06-06 US disclosed
US-6362182-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; BENIGN PROSTATIC HYPERTROPIC SYNAPTIC PHARMACEUTICAL CORPORATION 2002-03-26 US disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6218390-B1 FOR LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, RELAXING LOWER URINARY TRACT TISSUE, THERAPY OF BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, CARDIAC ARRHYTHMIA, SYMPATHETIC MEDIATED PAIN, MIGRAINE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D DRD4 1870/4885DRD2 1498/4885DRD3 1913/4885
US-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 DRD4 2816/4885DRD2 1469/4885DRD3 1498/4885
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 DRD4 2816/4885DRD2 1469/4885DRD3 1498/4885

“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.