SCHEMBL1050758

SCHEMBL1050758

COCCCc1c[nH]c2ccc(C(C)C(CC3NC(=O)OC3CN3CCCCC3=O)C(C)C)cc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.36
HTR1B P28222 5/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 5/20 0.33
HTR2A P28223 1/20 0.31
ALOX5 P09917 2/20 0.30
MTNR1B P49286 2/20 0.30
MTNR1A P48039 1/20 0.30
MPO P05164 1/20 0.30

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
Hydrochloric Acid SCHEMBL1051875 0.76 HTR1D (0.38) HTR1DHTR1BRAB9ASMN1; SMN2HTR1A
SCHEMBL1050754 0.75 KDM4E (0.30)
SCHEMBL3270876 0.70 REN (0.42)
SCHEMBL1050660 0.69 MTNR1A (0.35) HTR1DHTR1BRAB9AHTR1AMTNR1B
SCHEMBL3770009 0.69 HTR1D (0.36) HTR1DHTR1BSMN1; SMN2HTR1AHTR2A
SCHEMBL3770011 0.66 HTR1D (0.36) HTR1DHTR1BSMN1; SMN2HTR1AHTR2A
SCHEMBL1049807 0.66 HTR1D (0.35) HTR1DHTR1BRAB9AHTR1AMTNR1B
SCHEMBL78477 0.65 HTR1D (0.66) HTR1DHTR1BHTR1AHTR2AMPO
SCHEMBL4533872 0.64 HTR1D (0.31) HTR1DHTR1B
SCHEMBL3772837 0.64 CAPN1 (0.34) HTR1DHTR1BHTR1A

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 517/4885RAB9A 1805/4885

“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.