SCHEMBL5479142

SCHEMBL5479142

COc1ccc2c(c1)C(CCO)CCO2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
MTNR1A P48039 8/20 0.48
MTNR1B P49286 7/20 0.48
ENPP2 Q13822 1/20 0.46
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
NQO2 P16083 6/20 0.41
KCNH2 Q12809 2/20 0.39
GLA P06280 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
SCHEMBL5173384 0.93 HTR1A (0.48) HTR1AMTNR1AMTNR1BENPP2HTR2B
SCHEMBL5175120 0.89 HTR1A (0.54) HTR1AMTNR1AMTNR1BENPP2NQO2
SCHEMBL10407585 0.86 HTR1A (0.54) HTR1AMTNR1AMTNR1BENPP2HTR2B
SCHEMBL9669326 0.82 HTR1A (0.58) HTR1AMTNR1AMTNR1BENPP2HTR2B
SCHEMBL5223857 0.81 MTNR1A (0.72) HTR1AMTNR1AMTNR1BNQO2
SCHEMBL5173919 0.81 KDM4C (0.48) HTR1AMTNR1AMTNR1BHTR2BSIGMAR1
SCHEMBL30671706 0.80 HTR1A (0.56) HTR1AMTNR1AMTNR1BENPP2HTR2B
SCHEMBL5229125 0.80 HTR1A (0.53) HTR1AMTNR1AMTNR1BENPP2HTR2B
SCHEMBL5175500 0.80 HTR1A (0.56) HTR1AMTNR1AMTNR1BENPP2HTR2B
SCHEMBL7022012 0.79 MTNR1A (0.57) HTR1AMTNR1AMTNR1BNQO2

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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
US-4977166-A ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS RHONE-POULENC SANTE (FR) 1990-12-11 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO HTR1A 660/4885MTNR1A 2122/4885MTNR1B 2792/4885

“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.