SCHEMBL3249749

SCHEMBL3249749

COc1cnc2cccc(O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.52
MTNR1A P48039 6/20 0.52
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
MCL1 Q07820 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
PDPK1 O15530 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
SCHEMBL27947745 0.81 MTNR1B (0.50) MTNR1BMTNR1AMEN1KMT2AALDH1A1
SCHEMBL22766493 0.81 MTNR1B (0.50) MTNR1BMTNR1APDE4BRXFP1ALDH1A1
SCHEMBL425260 0.79 MTNR1B (0.49) MTNR1BMTNR1APDE4BMEN1KMT2A
SCHEMBL29923616 0.79 MTNR1B (0.49) MTNR1BMTNR1APDE4BMEN1KMT2A
SCHEMBL5265681 0.79 MTNR1B (0.51) MTNR1BMTNR1APDE4BMEN1KMT2A
SCHEMBL1526892 0.78 MTNR1B (0.57) MTNR1BMTNR1APDE4BALDH1A1HPGD
SCHEMBL14400285 0.77 MTNR1B (0.64) MTNR1BMTNR1APDE4BRXFP1ALDH1A1
SCHEMBL21783691 0.77 MTNR1B (0.51) MTNR1BMTNR1APDE4BALDH1A1LMNA
SCHEMBL21783731 0.77 MTNR1B (0.47) MTNR1BMTNR1APDE4BMEN1KMT2A
SCHEMBL14372228 0.77 MTNR1B (0.47) MTNR1BMTNR1APDE4BRXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 US disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B MTNR1B 4177/4885MTNR1A 4248/4885PDE4B 166/4885
US-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 MTNR1B 2247/4885MTNR1A 2634/4885PDE4B 3491/4885

“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.