SCHEMBL12595658

SCHEMBL12595658

CCCCOc1ccc(F)c2[nH]cc(CCN(C)C)c12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.60
HTR1B P28222 3/20 0.46
HTR1D P28221 2/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
HTR6 P50406 3/20 0.41
TAAR1 Q96RJ0 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MPO P05164 1/20 0.38
DRD1 P21728 1/20 0.38
HTR1E P28566 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL30483753 0.83 HTR1A (0.67) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL25282377 0.83 HTR1A (0.67) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL1163398 0.81 HTR2A (0.66) HTR1AHTR1DHTR2AHTR2CHTR2B
SCHEMBL13592867 0.81 HTR1A (0.50) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL4401430 0.80 HTR1A (0.78) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL12596305 0.78 HTR6 (0.70) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL26285388 0.77 HTR1A (0.64) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL25436799 0.76 HTR1A (0.53) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL8545440 0.76 HTR1A (0.55) HTR1AHTR1BHTR1DHTR2AHTR2C
SCHEMBL25747524 0.75 HTR1A (1.00) HTR1AHTR1BHTR1DHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR1A 38/4885HTR1B 26/4885HTR1D 154/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR1A 38/4885HTR1B 26/4885HTR1D 154/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR1A 38/4885HTR1B 26/4885HTR1D 154/4885

“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.