SCHEMBL3222580

SCHEMBL3222580

CN(C)[C@@H]1Cc2cccc3ncn(c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 1.00
DRD3 P35462 4/20 1.00
HTR1A P08908 13/20 0.70
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
DRD4 P21917 1/20 0.35
HTR7 P34969 4/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL7343813 1.00 DRD2 (1.00) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL6352686 0.82 HTR1A (1.00) DRD2DRD3HTR1A
SCHEMBL9127222 0.77 DRD2 (0.63) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL7376178 0.77 DRD2 (0.62) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL6483129 0.77 DRD2 (1.00) DRD2DRD3HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7343645 0.76 DRD2 (0.61) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL7353199 0.75 HTR1A (0.72) DRD2DRD3HTR1A
SCHEMBL7348730 0.73 DRD2 (0.58) DRD2DRD3HTR1ASLC6A2SLC6A4
SCHEMBL7348495 0.73 DRD2 (0.58) DRD2DRD3HTR1APARP1
SCHEMBL23261784 0.73 HTR1A (0.68) DRD2DRD3HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138200-A1 Pharmaceutical compositions for treatment of Parkinson's disease PHARMACIA CORPORATION 2004-07-15 US claimed
US-20100069397-A1 SEXUAL DYSFUNCTION COMPOUNDS PHARMACIA AB 2010-03-18 US disclosed
US-20070092554-A1 Sexual Dysfunction Compounds PHARMACIA AB (SE) 2007-04-26 US disclosed
EP-1471890-B1 PHARMACEUTICAL DOSAGE FORM FOR MUCOSAL DELIVERY PHARMACIA CORP (US) 2006-09-27 EP disclosed
EP-1545521-A2 COMPOSITIONS AND METHODS FOR TREATING SEXUAL DYSFUNCTION Pharmacia Corporation (US) 2005-06-29 EP disclosed
US-20050043296-A1 Compositions and methods for treating sexual dysfunction PHARMACLA & UPJOHN COMPANY 2005-02-24 US disclosed
US-20040138200-A1 Pharmaceutical compositions for treatment of Parkinson's disease PHARMACIA CORPORATION 2004-07-15 US disclosed
US-20040126448-A1 Sexual dysfunction compounds MCNEIL AB (FORMERLY KNOWN AS PFIZER CONSUMER HEALTHCARE HEALTH AB) (SE) 2004-07-01 US disclosed
WO-2004032853-A2 COMPOSITIONS AND METHODS FOR TREATING SEXUAL DYSFUNCTION PHARMACIA CORPORATION (US) 2004-04-22 WO disclosed
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery MCNEIL-PPC, INC 2003-12-25 US disclosed
US-20030022912-A1 Rapid-onset medicament for treatment of sexual dysfunction PHARMACIA & UPJOHN COMPANY 2003-01-30 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 (7 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-20100069397-A1 SEXUAL DYSFUNCTION COMPOUNDS PDE3B, PDE3A, PDE5A DRD2 171/4885DRD3 221/4885HTR1A 61/4885
US-20040126448-A1 Sexual dysfunction compounds PDE3B, PDE3A, PDE5A DRD2 171/4885DRD3 221/4885HTR1A 61/4885
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery SI, UGGT1, GYPA DRD2 1971/4885DRD3 1736/4885HTR1A 768/4885
US-20040138200-A1 Pharmaceutical compositions for treatment of Parkinson's disease PARK7, SNCA, OTC DRD2 2144/4885DRD3 2717/4885HTR1A 1634/4885
US-20030022912-A1 Rapid-onset medicament for treatment of sexual dysfunction SHBG, PDE3A, PDE3B DRD2 308/4885DRD3 453/4885HTR1A 148/4885
US-20070092554-A1 Sexual Dysfunction Compounds PDE3B, PDE3A, PDE5A DRD2 171/4885DRD3 221/4885HTR1A 61/4885
US-20050043296-A1 Compositions and methods for treating sexual dysfunction SORD, SHBG, SLC5A1 DRD2 1185/4885DRD3 1245/4885HTR1A 1764/4885

“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.