SCHEMBL4820489

SCHEMBL4820489

[O-][n+]1ccccc1N1CCN(Cc2cc3ncccc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 10/20 0.39
▸ HTR1A P08908 7/20 0.39
▸ DRD2 P14416 6/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 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
SCHEMBL4824036 0.81 DRD4 (0.53) DRD4
SCHEMBL4823372 0.80 KDM4E (0.52) HTR2BHTR1ADRD2DRD4
SCHEMBL4823578 0.79 DRD4 (0.52) DRD2DRD4SIGMAR1
SCHEMBL4817067 0.76 KDM4E (0.52) HTR1ADRD2DRD4
SCHEMBL4825079 0.75 PARP1 (0.42) HTR2BHTR1ADRD4CHRNB2CHRNA4
SCHEMBL4825010 0.75 DRD4 (0.48) HTR2BHTR1ADRD2DRD4
SCHEMBL4818594 0.75 DRD4 (0.51) HTR1ADRD2DRD4
SCHEMBL4824115 0.74 ALDH1A1 (0.57) HTR2BHTR1ADRD2DRD4
SCHEMBL4819167 0.72 DRD4 (0.57) HTR1ADRD2DRD4
SCHEMBL4820628 0.72 DRD4 (0.40) HTR2BHTR1ADRD2DRD4SIGMAR1

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 6 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 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

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-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 HTR2B 1005/4885HTR1A 293/4885DRD2 1129/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 HTR2B 541/4885HTR1A 362/4885DRD2 66/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC HTR2B 305/4885HTR1A 642/4885DRD2 63/4885

“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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