SCHEMBL3686499

SCHEMBL3686499

COc1ccc2nccc(CCC3(O)CCC(NCc4cnc5ccccc5n4)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.50
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 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
SCHEMBL3697253 0.87 MTNR1A (0.45) KCNH2MTNR1AMTNR1B
SCHEMBL3686473 0.84 KCNH2 (0.49) KCNH2MTNR1AMTNR1B
SCHEMBL3688396 0.82 KCNH2 (0.74) KCNH2
SCHEMBL3699153 0.79 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL3699150 0.79 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL5648051 0.79 KCNH2 (0.55) KCNH2MTNR1AMTNR1B
SCHEMBL3687390 0.78 KCNH2 (0.74) KCNH2
SCHEMBL3688159 0.78 KCNH2 (0.74) KCNH2
SCHEMBL3688156 0.78 KCNH2 (0.74) KCNH2
SCHEMBL3685555 0.77 MTNR1A (0.46) KCNH2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726357-A1 Inhibiting anaerobic production of volatile fatty acids and hydrogen by bacteria BETZ LABORATORIES INC. (US) 1996-08-14 EP claimed
CN-110366428-B Polypeptide-antigen conjugates with unnatural amino acids VAXCYTE公司 2024-05-17 CN disclosed
EP-1711056-B1 ANTIMICROBIAL COMPOSITIONS COMPRISING POLYMERIC STABILIZERS BASF SE (DE) 2010-11-10 EP disclosed
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7479476-B2 Antimicrobial compositions comprising polymeric stabilizers BASF AKTIENGESELLSCHAFT (DE) 2009-01-20 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20070111915-A1 Antimicrobial compositions comprising polymeric stabilizers BASF AKTIENGESELLSCHAFT (DE) 2007-05-17 US disclosed
EP-1711056-A1 ANTIMICROBIAL COMPOSITIONS COMPRISING POLYMERIC STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2006-10-18 EP disclosed
EP-1349457-B1 LIQUID ANTIMICROBIAL COMPOSITIONS BASF AG (DE) 2006-07-26 EP disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
WO-2005053398-A1 ANTIMICROBIAL COMPOSITIONS COMPRISING POLYMERIC STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 WO disclosed
US-6866869-B2 Liquid antimicrobial compositions BASF AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20040052778-A1 Liquid antimicrobial compositions BASF AKTIENGESELLSCHAFT (DE) 2004-03-18 US disclosed
EP-1349457-A1 LIQUID ANTIMICROBIAL COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2003-10-08 EP disclosed
WO-2002054872-A1 LIQUID ANTIMICROBIAL COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2002-07-18 WO disclosed
EP-0726357-A1 Inhibiting anaerobic production of volatile fatty acids and hydrogen by bacteria BETZ LABORATORIES INC. (US) 1996-08-14 EP 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 KCNH2 2411/4885MTNR1A 3313/4885MTNR1B 2889/4885
US-20040052778-A1 Liquid antimicrobial compositions LPO, MPO, GPX1 KCNH2 475/4885MTNR1A 3922/4885MTNR1B 3915/4885

“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.