SCHEMBL3687281

SCHEMBL3687281

CCCCCCCN1CCCCCC1NCc1ccnc2ccc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.45
KCNH2 Q12809 8/20 0.45
ROCK2 O75116 1/20 0.44
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL3690789 0.85 KCNH2 (0.48) CCR8KCNH2ROCK2MTNR1AMTNR1B
SCHEMBL14514811 0.80 KCNH2 (0.59) CCR8KCNH2ROCK2MCHR1
SCHEMBL6218051 0.79 CCR8 (0.47) CCR8KCNH2HTR1AADRA1DADRA1A
SCHEMBL3691654 0.78 KCNH2 (0.60) KCNH2MCHR1
SCHEMBL3684975 0.74 TACR1 (0.44) KCNH2ROCK2MTNR1AMTNR1B
SCHEMBL6626735 0.74 CCR8 (0.54) CCR8KCNH2ROCK2MTNR1AMTNR1B
SCHEMBL3688184 0.73 ROCK2 (0.54) KCNH2ROCK2MTNR1AMTNR1BHTR1A
SCHEMBL6975728 0.72 CCR8 (0.56) CCR8KCNH2MTNR1AMTNR1BMCHR1
SCHEMBL22623233 0.72 CYP2D6 (0.57) KCNH2ADRA1A
SCHEMBL30915544 0.71 CYP2D6 (0.61) KCNH2ROCK2ADRA1A

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 3 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

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 CCR8 3798/4885KCNH2 2411/4885ROCK2 3522/4885

“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.