SCHEMBL4816866

SCHEMBL4816866

COc1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 1.00
DRD2 P14416 3/20 0.65
GRM2 Q14416 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
CCNT1 O60563 1/20 0.56
CDK9 P50750 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 1/20 0.54
CACNA1G O43497 1/20 0.54

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
SCHEMBL4791717 0.79 CHRNA7 (0.77) DRD4DRD2GRIN1GRIN2BHTT
SCHEMBL4816882 0.79 DRD4 (1.00) DRD4DRD2
SCHEMBL31370749 0.79 DRD4 (0.69) DRD4DRD2GRIN1GRIN2BHTT
SCHEMBL5157052 0.77 HTT (0.84) DRD4DRD2GRM2GRIN1GRIN2B
SCHEMBL8436102 0.77 GRIN1 (0.73) DRD4DRD2GRIN1GRIN2BHTT
SCHEMBL6194908 0.77 MEN1 (0.64) DRD4DRD2GRM2MEN1KMT2A
SCHEMBL6941438 0.76 HTT (0.69) DRD4DRD2GRM2GRIN1GRIN2B
SCHEMBL21798525 0.76 CHRNA7 (0.71) DRD4DRD2GRIN1GRIN2BHTT
SCHEMBL18992217 0.76 HTT (0.64) DRD4DRD2GRIN1GRIN2BHTT
SCHEMBL4805542 0.75 DRD4 (1.00) DRD4DRD2GRM2GRIN1GRIN2B

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373220-B1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LAB (US) 2007-05-30 EP claimed
US-7022728-B2 Benzimidazoles that are useful in treating male sexual dysfunction ABBOTT LABORATORIES (US) 2006-04-04 US claimed
EP-1483258-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Abbott Laboratories (US) 2004-12-08 EP claimed
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-07-01 US claimed
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2004-06-10 US claimed
EP-1373220-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2004-01-02 EP claimed
WO-2003076431-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-09-18 WO claimed
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2003-08-28 US claimed
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction ABOTT LABORATORIES 2003-01-09 US claimed
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2002-11-14 US claimed
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2002-11-14 US claimed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 WO claimed
US-7351828-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-04-01 US disclosed
EP-1373220-B1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LAB (US) 2007-05-30 EP disclosed
US-7022728-B2 Benzimidazoles that are useful in treating male sexual dysfunction ABBOTT LABORATORIES (US) 2006-04-04 US disclosed
US-6960589-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2005-11-01 US disclosed
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction ABOTT LABORATORIES 2003-01-09 US disclosed
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2002-11-14 US disclosed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 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 (6 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-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885GRM2 3209/4885
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885GRM2 3209/4885
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885GRM2 3209/4885
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885GRM2 3209/4885
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885GRM2 3209/4885
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 DRD4 2278/4885DRD2 2231/4885GRM2 3209/4885

“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.