SCHEMBL7105350

SCHEMBL7105350

CC[CH]c1ccnc2cc(OC)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.56
ADRA1D P25100 3/20 0.56
ADRA1A P35348 3/20 0.56
ADRA1B P35368 3/20 0.56
FERMT2 Q96AC1 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR8 Q9NR97 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAK O14976 1/20 0.46
RIPK2 O43353 1/20 0.46
COQ8A Q8NI60 1/20 0.46
NLK Q9UBE8 1/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 2/20 0.43
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
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
SCHEMBL14243022 0.83 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2933117 0.83 KDM4E (0.55) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL10175202 0.79 HTR1A (0.60) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL27733447 0.77 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8145365 0.76 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13443841 0.76 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13467745 0.76 KDM4E (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7156011 0.75 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL2997568 0.75 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL24010334 0.74 HTR1A (0.59) HTR1AADRA1DADRA1AADRA1BFERMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP claimed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US claimed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US claimed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 EP claimed
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP disclosed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US disclosed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US disclosed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 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 (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-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin CYP7A1, HSD17B7, CYP51A1 HTR1A 2544/4885ADRA1D 565/4885ADRA1A 839/4885

“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.