SCHEMBL5838835

SCHEMBL5838835

Nc1ccc(CC2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 8/20 0.46
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5839029 0.78 MEN1 (0.89) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL3155441 0.75 NFE2L2 (0.50) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL5838187 0.75 PDK1 (0.47) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL5838592 0.73 ADRA2A (0.51)
SCHEMBL7438487 0.73 NFE2L2 (0.47) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL7446113 0.73 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL4040585 0.73 LMNA (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7092587 0.72 ADRA2A (0.52)
SCHEMBL4775689 0.71 USP2 (0.56) MEN1KMT2AMAPTTSHRHTT
SCHEMBL7401505 0.71 HPGD (0.69) KMT2AALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
CN-1110484-C 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 2003-06-04 CN disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
CN-1216762-A 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 1999-05-19 CN disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP 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 (3 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 MEN1 4692/4885KMT2A 4456/4885ALDH1A1 873/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R MEN1 1657/4885KMT2A 4384/4885ALDH1A1 2564/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 MEN1 1906/4885KMT2A 4113/4885ALDH1A1 2682/4885

“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.