SCHEMBL4823578

SCHEMBL4823578

c1ccc(N2CCN(Cc3cc4ncccc4o3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ GRM2 Q14416 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4823372 0.86 KDM4E (0.52) DRD4DRD2ALDH1A1KDM4EALOX15
SCHEMBL4817067 0.82 KDM4E (0.52) DRD4DRD2ALDH1A1KDM4ETDP1
SCHEMBL3395213 0.82 SIGMAR1 (0.65) DRD2ALDH1A1KDM4ETDP1SIGMAR1
SCHEMBL4825010 0.81 DRD4 (0.48) DRD4DRD2ALDH1A1KDM4ETDP1
SCHEMBL4825079 0.81 PARP1 (0.42) DRD4
SCHEMBL4818594 0.80 DRD4 (0.51) DRD4DRD2
SCHEMBL4820489 0.79 HTR2B (0.39) DRD4DRD2SIGMAR1
SCHEMBL4824115 0.79 ALDH1A1 (0.57) DRD4DRD2ALDH1A1KDM4ETDP1
SCHEMBL4819167 0.78 DRD4 (0.57) DRD4DRD2ALDH1A1KDM4ETDP1
SCHEMBL7106423 0.77 HTR1A (0.48) DRD4ALDH1A1KDM4ETDP1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 — — US claimed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 — — US claimed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 — — US claimed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 — — US claimed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 — — US claimed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 — — US claimed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 — — WO claimed
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 — — US disclosed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 — — US disclosed
US-7235661-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2007-06-26 — — US disclosed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 — — US disclosed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 — — US disclosed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 — — US disclosed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 — — US disclosed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 — — 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 (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-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 1401/4885DRD2 1129/4885ALDH1A1 246/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 102/4885DRD2 66/4885ALDH1A1 91/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC DRD4 100/4885DRD2 63/4885ALDH1A1 206/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 DRD4 1401/4885DRD2 1129/4885ALDH1A1 246/4885

“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.

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