SCHEMBL3684975

SCHEMBL3684975

COc1ccc2nccc(CNC3CCCCCN3C=CC(=O)c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ROCK2 O75116 1/20 0.40
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PREP P48147 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 0.80 KCNH2 (0.48) TACR1MTNR1AMTNR1BROCK2KCNH2
SCHEMBL3687281 0.74 CCR8 (0.45) MTNR1AMTNR1BROCK2KCNH2
SCHEMBL14514812 0.71 ALDH1A1 (0.47) TACR1KCNH2NPC1ALDH1A1MAPT
SCHEMBL5651807 0.69 MTNR1A (0.50) MTNR1AMTNR1BROCK2KCNH2KDM4E
SCHEMBL3688184 0.69 ROCK2 (0.54) MTNR1AMTNR1BROCK2KCNH2KDM4E
SCHEMBL3691654 0.69 KCNH2 (0.60) KCNH2
SCHEMBL10952054 0.68 NOS3 (0.53) MTNR1AMTNR1BKCNH2ALDH1A1
SCHEMBL3690391 0.67 KCNH2 (0.49) TACR1MTNR1AMTNR1BROCK2KCNH2
SCHEMBL30915540 0.67 CYP2D6 (0.61) ROCK2KCNH2KDM4EALDH1A1
SCHEMBL30915544 0.67 CYP2D6 (0.61) ROCK2KCNH2KDM4EALDH1A1

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
US-20100240616-A1 NOVEL LIPID COMPOUNDS PRONOVA BIOPHARMA NORGE AS (NO) 2010-09-23 US 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 (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-20100240616-A1 NOVEL LIPID COMPOUNDS ELOVL3, FFAR3, STARD3 TACR1 730/4885MTNR1A 960/4885MTNR1B 919/4885
US-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 TACR1 3827/4885MTNR1A 3313/4885MTNR1B 2889/4885

“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.