SCHEMBL6899490

SCHEMBL6899490

N[C@H]1c2cc(F)ccc2OC[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HCRTR2 O43614 1/20 0.40
KDM1A O60341 2/20 0.39
KDM1B Q8NB78 1/20 0.39
CYP19A1 P11511 1/20 0.36
CA2 P00918 1/20 0.36
AKR1B1 P15121 1/20 0.35
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34

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
SCHEMBL13834521 1.00 GRM7 (0.41) GRM7DRD2DRD3HCRTR2KDM1A
SCHEMBL13834402 0.87 LTB4R (0.36) KDM1AKDM1BCA2
SCHEMBL6899058 0.87 LTB4R (0.36) KDM1AKDM1BCA2
SCHEMBL1979997 0.87 LTB4R (0.36) KDM1AKDM1BCA2
SCHEMBL1979995 0.87 LTB4R (0.36) KDM1AKDM1BCA2
SCHEMBL13834541 0.80 HTR2C (0.42) HCRTR2CYP19A1CA2
SCHEMBL2610214 0.80 DRD2 (0.40) DRD2DRD3HCRTR2KDM1AKDM1B
SCHEMBL6899244 0.80 HCRTR2 (0.43) DRD2DRD3HCRTR2CYP19A1CA2
SCHEMBL6900044 0.80 HTR2C (0.42) HCRTR2CYP19A1CA2
SCHEMBL2112685 0.80 DRD2 (0.40) DRD2DRD3HCRTR2KDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-8592429-B2 5-amino-4-hydroxypentoyl amides JANSSEN R&D IRELAND (IE) 2013-11-26 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 GRM7 4307/4885DRD2 1530/4885DRD3 833/4885

“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.