SCHEMBL4144111

SCHEMBL4144111

COc1ccc(N(c2cccc(Cl)c2)C2CCNCC2)nc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.39
SLC6A2 P23975 8/20 0.39
SLC6A3 Q01959 4/20 0.39
CYP2D6 P10635 1/20 0.38
MBTPS1 Q14703 1/20 0.38
TP53 P04637 1/20 0.37
HTR6 P50406 5/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TACR1 P25103 1/20 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
Hydrochloric Acid SCHEMBL4134651 0.99 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6MBTPS1
SCHEMBL8253522 0.83 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3CYP2D6TP53
SCHEMBL4147343 0.79 TACR1 (0.40) SLC6A4SLC6A2SLC6A3HTR6HTR2C
Hydrochloric Acid SCHEMBL4131789 0.79 TACR1 (0.40) SLC6A4SLC6A2SLC6A3HTR6HTR2C
SCHEMBL4141040 0.76 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3CYP2D6HTR6
SCHEMBL8252593 0.75 TACR1 (0.43) SLC6A4SLC6A2SLC6A3CYP2D6MBTPS1
SCHEMBL8252673 0.73 TACR1 (0.41) SLC6A4SLC6A2SLC6A3HTR6TACR1
SCHEMBL2902564 0.72 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3FGFR1FGFR2
SCHEMBL4139915 0.71 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL2906884 0.71 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US claimed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP claimed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO claimed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 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 (2 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B SLC6A4 1190/4885SLC6A2 2176/4885SLC6A3 732/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B SLC6A4 1190/4885SLC6A2 2176/4885SLC6A3 732/4885

“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.