SCHEMBL3633425

SCHEMBL3633425

CCOc1cc(N)ccc1C(=O)NCC1CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.48
HTR1A P08908 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR2B P41595 2/20 0.47
ADRB2 P07550 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL1502383 0.90 HPGD (0.53) CHEK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1502335 0.84 HTR1A (0.47) CHEK1HTR1ASLC6A4HTR2BADRB2
SCHEMBL1501979 0.84 HTR1A (0.60) CHEK1HTR1ASLC6A4HTR2BADRB2
SCHEMBL1502088 0.77 LMNA (0.52) CHEK1HTR1ASLC6A4HTR2BHTR2A
SCHEMBL1502407 0.74 HTR4 (0.48) CHEK1HTR1ASLC6A4HTR2BMEN1
SCHEMBL1502385 0.73 KDM4E (0.52) CHEK1HTR1AALDH1A1KDM4EMEN1
SCHEMBL1501969 0.73 HTR4 (0.66) HTR2BHTR2AALDH1A1KDM4ELMNA
SCHEMBL13162864 0.73 CHEK1 (0.56) CHEK1SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL14029259 0.73 KMT2A (0.67) HTR1ASLC6A4HTR2BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9021789 0.73 HTR4 (0.65) KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148867-B1 DEUTERATED MORPHOLINYL COMPOUNDS CONCERT PHARMACEUTICALS INC (US) 2014-09-10 EP disclosed
EP-2148867-A1 DEUTERATED MORPHOLINYL COMPOUNDS Concert Pharmaceuticals Inc. (US) 2010-02-03 EP disclosed
US-7528131-B2 Substituted morpholinyl compounds CONCERT PHARMACEUTICALS INC. (US) 2009-05-05 US disclosed
US-7528131-B2 Substituted morpholinyl compounds CONCERT PHARMACEUTICALS INC. (US) 2009-05-05 US disclosed
US-7528131-B2 Substituted morpholinyl compounds CONCERT PHARMACEUTICALS INC. (US) 2009-05-05 US disclosed
WO-2008131259-A1 DEUTERATED MORPHOLINYL COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2008-10-30 WO disclosed
WO-2008131259-A1 DEUTERATED MORPHOLINYL COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2008-10-30 WO disclosed
US-20080261983-A1 Substituted morpholinyl compounds CONCERT PHARMACEUTICALS INC. (US) 2008-10-23 US disclosed
US-20080261983-A1 Substituted morpholinyl compounds CONCERT PHARMACEUTICALS INC. (US) 2008-10-23 US disclosed
US-20080261983-A1 Substituted morpholinyl compounds CONCERT PHARMACEUTICALS INC. (US) 2008-10-23 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-20080261983-A1 Substituted morpholinyl compounds HTR4, SLC6A4, HTR3B CHEK1 1336/4885HTR1A 8/4885SLC6A4 2/4885

“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.