SCHEMBL5218324

SCHEMBL5218324

Cc1ccc(N2C(=O)CCc3cc(F)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
NOTUM Q6P988 1/20 0.42
MGLL Q99685 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SRD5A1 P18405 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
KAT2B Q92831 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL5817493 0.84 MGLL (0.43) PTGS1PTGS2MGLLALDH1A1L3MBTL1
SCHEMBL5215688 0.78 HPGD (0.53) SLC6A2ALDH1A1L3MBTL1LMNAF2
SCHEMBL10399819 0.76 HPGD (0.50) SLC6A2NOTUMMGLLALDH1A1HPGD
SCHEMBL1949985 0.75 LMNA (0.64) MGLLALDH1A1L3MBTL1LMNAF2
SCHEMBL28114020 0.74 SRD5A1 (0.59) NOTUMSRD5A1
SCHEMBL2615293 0.74 OPRK1 (0.54) SLC6A2PTGS1PTGS2MGLLALDH1A1
SCHEMBL6575713 0.73 KMT2A (0.46) MGLLALDH1A1L3MBTL1LMNAF2
SCHEMBL6525622 0.71 MEN1 (0.56) PTGS1PTGS2MGLLALDH1A1L3MBTL1
SCHEMBL7856785 0.71 TP53 (0.43) MGLLLMNATP53MAPTKMT2A
SCHEMBL12559590 0.70 L3MBTL1 (0.54) ALDH1A1L3MBTL1LMNATP53HPGD

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-1622874-B1 3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2007-10-03 EP disclosed
US-20070105845-A1 Quinolone derivatives ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-05-10 US disclosed
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 US disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 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 (5 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-20070105845-A1 Quinolone derivatives NQO2, NQO1, RECQL SLC6A2 1044/4885PTGS1 1213/4885PTGS2 1978/4885
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885PTGS1 3591/4885PTGS2 4181/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885PTGS1 3969/4885PTGS2 4396/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885PTGS1 2571/4885PTGS2 3479/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A2 1/4885PTGS1 354/4885PTGS2 463/4885

“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.