SCHEMBL2263042

SCHEMBL2263042

CC1CNc2ccc(F)c(F)c21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.35
▸ HTR2C P28335 5/20 0.35
▸ HTR2B P41595 3/20 0.35
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ LRRK2 Q5S007 3/20 0.31
▸ JAK2 O60674 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
SCHEMBL16685041 0.77 CHRNB2 (0.40) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL28783427 0.74 MAPKAPK2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL10434118 0.70 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL22798664 0.69 CA1 (0.37) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL10374446 0.69 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL10433905 0.69 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL10433729 0.69 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL16685040 0.67 HTR2C (0.41) HTR2C
SCHEMBL20863846 0.66 MAPKAPK2 (0.35) LRRK2
SCHEMBL2258698 0.65 HTR2C (0.53) HTR2AHTR2CHTR2B

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
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 — — EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 — — US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 — — US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 — — US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 — — US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 — — EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 — — EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — 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 (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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA HTR2A 426/4885HTR2C 546/4885HTR2B 296/4885

“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.

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