SCHEMBL5388591

SCHEMBL5388591

COc1cc([N+](=O)[O-])ccc1CCCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HRH3 Q9Y5N1 3/20 0.50
KCNJ1 P48048 3/20 0.48
SIGMAR1 Q99720 3/20 0.47
KCNH2 Q12809 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7345284 0.84 KCNJ1 (0.59) ALDH1A1KCNJ1HTTKMT2AMEN1
SCHEMBL3171647 0.83 KCNJ1 (0.58) ALDH1A1KCNJ1HTTKMT2AMEN1
SCHEMBL18788160 0.82 HRH3 (0.56) ALDH1A1HRH3SIGMAR1LMNACYP2D6
SCHEMBL1928086 0.82 HRH3 (0.56) ALDH1A1HRH3LMNACYP2D6SMN1; SMN2
SCHEMBL21412829 0.82 CA12 (0.56) ALDH1A1HRH3KCNJ1SIGMAR1HTT
SCHEMBL31378757 0.81 HRH3 (0.55) ALDH1A1HRH3LMNACYP2D6SMN1; SMN2
SCHEMBL5381731 0.79 KMT2A (0.54) ALDH1A1KCNJ1HTTKMT2AMEN1
SCHEMBL1929880 0.79 LTA4H (0.57) ALDH1A1HRH3KMT2AMEN1LMNA
SCHEMBL264564 0.79 LTA4H (0.57) ALDH1A1HRH3KMT2AMEN1LMNA
SCHEMBL2076533 0.78 MAPT (0.53) ALDH1A1HRH3SIGMAR1KCNH2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 ALDH1A1 2468/4885HRH3 714/4885KCNJ1 2230/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS ALDH1A1 2328/4885HRH3 3756/4885KCNJ1 3489/4885

“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.