SCHEMBL4658334

SCHEMBL4658334

COc1ccccc1N1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
TSHR P16473 3/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
POLB P06746 2/20 0.60
LMNA P02545 2/20 0.60
HTR1A P08908 1/20 0.60
ADRA1D P25100 1/20 0.60
ADRA1B P35368 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PKM P14618 1/20 0.59
HPGDS O60760 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
DRD2 P14416 1/20 0.56

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
SCHEMBL9272910 0.87 TSHR (0.64) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL6184895 0.86 AKR1C3 (0.61) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL16026545 0.83 PKM (0.74) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL27829788 0.83 AKR1C3 (0.83) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL7793932 0.82 AKR1C3 (0.68) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL3904994 0.82 KMT2A (0.68) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL30747784 0.81 TSHR (0.68) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL614496 0.81 AKR1C3 (0.58) AKR1C3TSHRKMT2AMEN1LMNA
SCHEMBL1423195 0.81 AKR1C3 (0.66) AKR1C3TSHRKMT2AMEN1POLB
SCHEMBL8362372 0.81 TSHR (0.68) AKR1C3TSHRKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423106-B1 ARYLSULFONYL DERIVATIVES WITH 5-HT 6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2008-12-17 EP disclosed
EP-1423106-B1 ARYLSULFONYL DERIVATIVES WITH 5-HT 6 RECEPTOR AFFINITY HOFFMANN LA ROCHE (CH) 2008-12-17 EP disclosed
US-6825202-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-11-30 US disclosed
EP-1423106-A1 ARYLSULFONYL DERIVATIVES WITH 5-HT 6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2004-06-02 EP disclosed
US-20030069254-A1 New arylsulfonyl derivatives with 5-HT6 receptor affinity SYNTEX (U.S.A.) LLC 2003-04-10 US disclosed
WO-2003014097-A1 ARYLSULFONYL DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY F. HOFFMANN-LA ROCHE AG (CH) 2003-02-20 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-20030069254-A1 New arylsulfonyl derivatives with 5-HT6 receptor affinity HTR6, HTR1A, HTR4 AKR1C3 1088/4885TSHR 159/4885KMT2A 1640/4885

“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.