SCHEMBL13834604

SCHEMBL13834604

N[C@@H]1c2ccc(Cl)cc2OC[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.53
TAAR1 Q96RJ0 2/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CHEK1 O14757 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36

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
SCHEMBL1981575 1.00 MAP3K14 (0.53) MAP3K14TAAR1CA2CA1CHEK1
SCHEMBL1981577 1.00 MAP3K14 (0.53) MAP3K14TAAR1CA2CA1CHEK1
SCHEMBL6900318 1.00 MAP3K14 (0.53) MAP3K14TAAR1CA2CA1CHEK1
SCHEMBL6899244 0.87 HCRTR2 (0.43) MAP3K14TAAR1CA2CA1CHEK1
SCHEMBL6899058 0.80 LTB4R (0.36) CA2LTB4RLTB4R2
SCHEMBL13834402 0.80 LTB4R (0.36) CA2LTB4RLTB4R2
SCHEMBL1979995 0.80 LTB4R (0.36) CA2LTB4RLTB4R2
SCHEMBL6897677 0.80 MAP3K14 (0.53) MAP3K14TAAR1CHEK1LTB4RLTB4R2
SCHEMBL1979997 0.80 LTB4R (0.36) CA2LTB4RLTB4R2
SCHEMBL31040705 0.79 MAP3K14 (0.50) MAP3K14TAAR1CA2CA1

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 3 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
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

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 MAP3K14 4013/4885TAAR1 2462/4885CA2 3595/4885

“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.