SCHEMBL3068255

SCHEMBL3068255

COCCCOc1cc(CCl)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TTR P02766 3/20 0.40
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
PPARA Q07869 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
HPGD P15428 3/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL3080203 0.83 TSHR (0.44) TSHRMAPTTDP1TTRCYP1A2
SCHEMBL15173216 0.83 TTR (0.50) TTRKDM4EREN
SCHEMBL3979694 0.83 TSHR (0.41) TSHRMAPTTDP1TTRCYP1A2
SCHEMBL3073300 0.82 TTR (0.40) TDP1TTRL3MBTL1MAPK1LMNA
SCHEMBL13490805 0.79 LMNA (0.49) TSHRMAPTSMN1; SMN2HTR2BL3MBTL1
SCHEMBL89387 0.79 TSHR (0.62) TSHRMAPTTDP1TTRCYP1A2
SCHEMBL5366841 0.78 TTR (0.54) TSHRMAPTTDP1TTRCYP1A2
SCHEMBL1052762 0.77 TTR (0.46) MAPTTTRCYP2C9HTR2BL3MBTL1
SCHEMBL429553 0.76 KDM4E (0.50) TSHRMAPTTDP1TTRCYP1A2
SCHEMBL89664 0.76 TSHR (0.42) TSHRMAPTTDP1TTRCYP1A2

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
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (3 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-20090012055-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885MAPT 2397/4885TDP1 3607/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 TSHR 3211/4885MAPT 2397/4885TDP1 3607/4885
US-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 TSHR 853/4885MAPT 4007/4885TDP1 3453/4885

“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.