SCHEMBL5857482

SCHEMBL5857482

CC(c1ccc(C([O])=O)cc1)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
OPRD1 P41143 17/20 0.51
OPRM1 P35372 10/20 0.45
CYP2D6 P10635 2/20 0.42
OPRK1 P41145 4/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL25168550 0.87 OPRD1 (0.66) CHRM2CHRM1OPRD1OPRM1CYP2D6
SCHEMBL25168549 0.87 OPRD1 (0.66) CHRM2CHRM1OPRD1OPRM1CYP2D6
SCHEMBL13380743 0.86 OPRD1 (0.65) CHRM2CHRM1OPRD1OPRM1CYP2D6
Hydrochloric Acid SCHEMBL4417655 0.84 CHRM2 (0.52) CHRM2CHRM1OPRD1OPRM1CYP2D6
SCHEMBL26199219 0.83 OPRD1 (0.69) CHRM2CHRM1OPRD1OPRM1
SCHEMBL1978575 0.83 OPRD1 (0.69) CHRM2CHRM1OPRD1OPRM1
SCHEMBL5915113 0.80 CHRM2 (0.56) CHRM2CHRM1OPRD1OPRM1CYP2D6
SCHEMBL20883792 0.79 CHRM2 (0.59) CHRM2CHRM1OPRD1CYP2D6CYP19A1
SCHEMBL15318609 0.78 CHRM2 (0.58) CHRM2CHRM1OPRD1OPRM1CYP2D6
SCHEMBL2264950 0.76 CHRM2 (0.56) CHRM2CHRM1OPRD1OPRM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125906-B2 Indole derivatives having anti-angiogenetic activity ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-7030123-B2 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization ASTRAZENECA AB (SE) 2005-07-21 US disclosed
EP-1515716-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY Astrazeneca AB (SE) 2005-03-23 EP disclosed
US-20030216356-A1 Indole derivatives with vascular damaging activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
WO-2003082271-A2 INDOLE DERIVATIVES HAVING ANTI-ANGIOGENETIC ACTIVITY ASTRAZENECA AB (SE) 2003-10-09 WO disclosed
EP-1289952-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY AstraZeneca AB (SE) 2003-03-12 EP disclosed
WO-2001092224-A1 INDOLE DERIVATIVES WITH VASCULAR DAMAGING ACTIVITY ASTRAZENECA AB (SE) 2001-12-06 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 (2 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-20050159474-A1 Angiogenesis inhibitors for cardiovascular disorders, neovascularization FLT1, FLT4, VEGFA CHRM2 1350/4885CHRM1 973/4885OPRD1 1542/4885
US-20030216356-A1 Indole derivatives with vascular damaging activity IDO1, IDO2, VEGFA CHRM2 664/4885CHRM1 492/4885OPRD1 37/4885

“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.