SCHEMBL4149726

SCHEMBL4149726

NC1CCOc2cc(CN3CCCC(O)C3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.48
LTA4H P09960 4/20 0.47
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
KMT2A Q03164 1/20 0.44
PARP1 P09874 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4133986 0.85 LTA4H (0.44) ALDH1A1LTA4HPRMT5WDR77KMT2A
SCHEMBL5950942 0.85 SMN1; SMN2 (0.47) ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL5950940 0.85 SMN1; SMN2 (0.47) ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL4147058 0.84 KMT2A (0.53) ALDH1A1LTA4HKMT2APDCD1CD274
SCHEMBL4147234 0.79 CYP2D6 (0.40) KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL4141117 0.79 HTT (0.56) ALDH1A1HTTLTA4HKDM4EPOLB
SCHEMBL4151501 0.76 CYP2D6 (0.39) LTA4HKMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL3570792 0.74 MAP3K14 (0.41) PDCD1CD274
SCHEMBL3570796 0.74 MAP3K14 (0.41) PDCD1CD274
SCHEMBL15347018 0.73 ALDH1A1 (0.66) ALDH1A1HTTLTA4HKDM4EPOLB

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
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885HTT 1860/4885LTA4H 17/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885HTT 1860/4885LTA4H 17/4885

“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.