SCHEMBL5582827

SCHEMBL5582827

CN(C)CC1COc2ccc([N+](=O)[O-])cc2O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.51
CHRNA3 P32297 4/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA2 P00918 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALOX5 P09917 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL5582594 0.95 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ACA2
SCHEMBL16086832 0.87 CHRNB4 (0.49) CHRNB4CHRNA3MEN1KMT2ACA2
Hydrochloric Acid SCHEMBL1168291 0.86 CHRNB4 (0.48) CHRNB4CHRNA3MEN1KMT2ACA2
SCHEMBL3033668 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT
SCHEMBL5845776 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ACA2
SCHEMBL4858827 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ACA2
SCHEMBL3029057 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2AMAPT
SCHEMBL21213913 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ACA2
SCHEMBL6070253 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ACA2
SCHEMBL5937089 0.82 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ACA2

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
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1001766-B1 COMPOUNDS FOR THE TREATMENT OF CCR5-MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6515027-B1 Ligands, agonists or antagonists, of the CC chemokine receptor CC-CKR5 SMITHKLINE BEECHAM CORP. 2003-02-04 US disclosed
EP-1001766-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2001-04-04 EP disclosed
EP-1001766-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999001127-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 CHRNB4 2844/4885CHRNA3 2599/4885MEN1 380/4885

“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.