SCHEMBL1049807

SCHEMBL1049807

COCCCc1c[nH]c2ccc(C(C)C(CC3COC(C)(C)N3C(=O)OC(C)(C)C)C(C)C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.35
HTR1B P28222 3/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
MTNR1A P48039 6/20 0.33
MTNR1B P49286 5/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.32
HTR1A P08908 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A1 P04798 1/20 0.32
MPO P05164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
NQO2 P16083 1/20 0.32
HTR2B P41595 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1050660 0.90 MTNR1A (0.35) HTR1DHTR1BMTNR1AMTNR1BALDH1A1
SCHEMBL1050481 0.80 NQO2 (0.33) MAPTLMNAMTNR1AMTNR1BALDH1A1
SCHEMBL1045290 0.77 SPR (0.33) MTNR1AMTNR1BNQO2
SCHEMBL1049805 0.71 NQO2 (0.33) MAPTLMNAMTNR1AMTNR1BALDH1A1
SCHEMBL3772837 0.70 CAPN1 (0.34) HTR1DHTR1BMAPTLMNAHTR1A
SCHEMBL1052358 0.70 MTNR1A (0.35) MAPTLMNAMTNR1AMTNR1BALDH1A1
Hydrochloric Acid SCHEMBL1050543 0.70 TRPV1 (0.36) HTR1DMTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL1051032 0.69 HTR1D (0.36) HTR1DHTR1BMTNR1AMTNR1BHTR1A
SCHEMBL1049891 0.69 MTNR1A (0.35) MAPTMTNR1AMTNR1BALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL5164080 0.68 HTR1D (0.40) HTR1DHTR1BMAPTMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 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-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C HTR1D 698/4885HTR1B 517/4885MAPT 1300/4885

“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.