SCHEMBL3690789

SCHEMBL3690789

COc1ccc2nccc(CNC3CCCCCN3CCc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
TACR1 P25103 2/20 0.43
CCR8 P51685 1/20 0.43
HRH3 Q9Y5N1 6/20 0.42
ROCK2 O75116 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL3687281 0.85 CCR8 (0.45) KCNH2CCR8ROCK2MTNR1AMTNR1B
SCHEMBL13145572 0.81 KCNH2 (0.65) KCNH2TACR1CCR8
SCHEMBL3684975 0.80 TACR1 (0.44) KCNH2TACR1ROCK2MTNR1AMTNR1B
SCHEMBL3691654 0.79 KCNH2 (0.60) KCNH2
SCHEMBL3692134 0.78 KCNH2 (0.61) KCNH2TACR1CCR8
SCHEMBL6216150 0.73 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL3688184 0.72 ROCK2 (0.54) KCNH2ROCK2MTNR1AMTNR1B
SCHEMBL30915540 0.69 CYP2D6 (0.61) KCNH2ROCK2
SCHEMBL30915544 0.69 CYP2D6 (0.61) KCNH2ROCK2
SCHEMBL3687109 0.68 KCNH2 (0.73) KCNH2

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
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 EP disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 KCNH2 2411/4885TACR1 3827/4885CCR8 3798/4885

“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.