SCHEMBL6969785

SCHEMBL6969785

c1ccc2c(c1)Oc1ccccc1N2CCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.50
CACNA1H O95180 1/20 0.50
KDM1A O60341 7/20 0.49
FPR2 P25090 2/20 0.48
SIGMAR1 Q99720 3/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 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
SCHEMBL6102599 0.98 CACNA1B (0.51) CACNA1BCACNA1HKDM1AFPR2SIGMAR1
SCHEMBL9419635 0.97 CACNA1B (0.50) CACNA1BCACNA1HKDM1AFPR2SIGMAR1
SCHEMBL6102976 0.88 PIM1 (0.59) FPR2SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL29354742 0.86 PIM1 (0.60) CACNA1BCACNA1HSIGMAR1CHRM2HTR1A
SCHEMBL6104044 0.86 PIM1 (0.60) CACNA1BCACNA1HSIGMAR1CHRM2HTR1A
SCHEMBL9085509 0.86 CACNA1B (0.50) CACNA1BCACNA1HHRH3P2RX4
SCHEMBL13305145 0.86 KDM1A (0.64) CACNA1BKDM1AFPR2SIGMAR1CHRM2
SCHEMBL9419629 0.86 KDM1A (0.67) CACNA1BKDM1ASIGMAR1CHRM2HTR1A
SCHEMBL13305231 0.85 FPR2 (0.65) FPR2SIGMAR1CHRM2HTR1AADRA2A
SCHEMBL29577279 0.83 FPR2 (0.64) FPR2SIGMAR1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 EP claimed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 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 (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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 CACNA1B 1119/4885CACNA1H 2362/4885KDM1A 2111/4885

“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.