SCHEMBL7473357

SCHEMBL7473357

O=C(O)[C@@H]1CCCN(CCC=C2c3cc(Cl)ccc3OCOc3ccc(Cl)cc32)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 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
Hydrochloric Acid SCHEMBL7476594 0.99 ALDH1A1 (0.48) SLC6A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL7478560 0.87 ALDH1A1 (0.58) TSHRALDH1A1LMNA
SCHEMBL7466181 0.86 SLC6A1 (0.56) SLC6A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL7470443 0.86 SLC6A1 (0.56) SLC6A1CYP1A2CYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL7473177 0.85 ALDH1A1 (0.57) SLC6A1CYP1A2CYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL7472748 0.85 ALDH1A1 (0.57) SLC6A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL7562506 0.82 LTA4H (0.40) CYP1A2CYP2D6CYP2C19LMNA
Hydrochloric Acid SCHEMBL7472385 0.82 LTA4H (0.39) CYP1A2CYP2D6CYP2C19LMNA
Hydrochloric Acid SCHEMBL7609326 0.78 ALDH1A1 (0.52) SLC6A1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL7604278 0.78 SLC6A1 (0.65) SLC6A1CYP1A2CYP2D6CYP2C9TSHR

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
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP claimed
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US claimed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP claimed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO claimed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP disclosed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 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 (1 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-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis VEGFA, KDR, FLT4 SLC6A1 3399/4885CYP1A2 947/4885CYP2D6 780/4885

“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.