SCHEMBL5221050

SCHEMBL5221050

Cc1ccccc1CNCCO

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.67
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.51
CA12 O43570 5/20 0.48
CA2 P00918 5/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.46
CA9 Q16790 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CXCR4 P61073 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DNM1 Q05193 1/20 0.44
SCN8A Q9UQD0 1/20 0.44

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
SCHEMBL5769664 0.89 CHRM2 (0.73) CHRM2ALDH1A1HTTCA12CA2
SCHEMBL4913105 0.87 CHRM2 (0.77) CHRM2ALDH1A1HTTCA12CA2
SCHEMBL10925708 0.85 CHRM2 (0.80) CHRM2ALDH1A1CA12CA2CA9
SCHEMBL5034679 0.85 CHRM2 (0.81) CHRM2ALDH1A1HTTCA12CA2
SCHEMBL4916612 0.85 CHRM2 (0.81) CHRM2ALDH1A1HTTCA12CA2
SCHEMBL4912089 0.85 CHRM2 (0.81) CHRM2ALDH1A1HTTCA12CA2
SCHEMBL20962611 0.85 ALDH1A1 (0.59) CHRM2ALDH1A1CA12CA2LMNA
SCHEMBL40401 0.83 CHRM2 (0.69) CHRM2ALDH1A1HTTHPGDLMNA
SCHEMBL9201570 0.82 CHRM2 (0.50) CHRM2ALDH1A1HTTCA12CA2
SCHEMBL13159608 0.82 CHRM2 (0.69) CHRM2ALDH1A1HTTCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS PFIZER INC 2007-03-22 US disclosed
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS PFIZER INC 2007-03-22 US disclosed
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS PFIZER INC 2007-03-22 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-7169932-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC. (US) 2007-01-30 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
EP-1739082-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis Agouron Pharmaceuticals , Inc. (US) 2007-01-03 EP disclosed
EP-1739082-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis Agouron Pharmaceuticals , Inc. (US) 2007-01-03 EP disclosed
US-20050250707-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2005-11-10 US disclosed
US-6953858-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-10-11 US disclosed
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC 2004-09-02 US disclosed
EP-1448539-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS Agouron Pharmaceuticals , Inc. (US) 2004-08-25 EP disclosed
WO-2002100845-A1 HV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0120393-A1 Herbicide-substituted phenoxypropionic-acid esters NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-10-03 EP 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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP CHRM2 4867/4885ALDH1A1 2461/4885HTT 4064/4885
US-20070066664-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS SERPINB1, PEPD, PREP CHRM2 4867/4885ALDH1A1 2479/4885HTT 4011/4885
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis SERPINB1, PEPD, PREP CHRM2 4861/4885ALDH1A1 2184/4885HTT 4060/4885
US-20050250707-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP CHRM2 4867/4885ALDH1A1 2461/4885HTT 4064/4885

“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.