SCHEMBL475613

SCHEMBL475613

COc1cccc(C(C)Nc2cc(N3CCNCC3)ccc2C(=O)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ROCK2 O75116 4/20 0.44
ABCB1 P08183 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
PRKG1 Q13976 2/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HTR6 P50406 1/20 0.39
SOS1 Q07889 1/20 0.39
OPRM1 P35372 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
SCHEMBL475403 0.92 ADRB1 (0.45) ADRB1SMN1; SMN2HPGDABCB1CYP2C9
Hydrochloric Acid SCHEMBL1748341 0.91 ADRB1 (0.44) ADRB1SMN1; SMN2HPGDABCB1CYP2C9
SCHEMBL475393 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HPGDKMT2ALMNAHTT
SCHEMBL475541 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HPGDKMT2ALMNAHTT
SCHEMBL475608 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HPGDKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL1748959 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HPGDKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL1748452 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HPGDKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL1748451 0.87 SMN1; SMN2 (0.59) SMN1; SMN2HPGDKMT2ALMNAHTT
SCHEMBL475388 0.82 HPGD (0.46) ADRB1SMN1; SMN2HPGDCYP2C9HTR1A
Hydrochloric Acid SCHEMBL1748277 0.81 HPGD (0.46) ADRB1SMN1; SMN2HPGDCYP2C9HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP claimed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US claimed
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP disclosed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US disclosed
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS HTR6, HTR3B, HTR1B ADRB1 85/4885SMN1; SMN2 2720/4885HPGD 1316/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ADRB1 54/4885SMN1; SMN2 3858/4885HPGD 2326/4885

“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.