SCHEMBL4228539

SCHEMBL4228539

COc1cc2c(cc1OC)CN(CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.62
DRD3 P35462 3/20 0.45
SIGMAR1 Q99720 1/20 0.45
ABCB1 P08183 4/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.44
DRD4 P21917 2/20 0.44

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
SCHEMBL2136803 0.97 TMEM97 (0.62) TMEM97ABCB1LMNAMAPTHTT
SCHEMBL14502684 0.92 TMEM97 (0.54) TMEM97DRD3SIGMAR1ABCB1DRD4
SCHEMBL10035579 0.89 TMEM97 (0.53) TMEM97DRD3SIGMAR1ABCB1DRD4
Hydrochloric Acid SCHEMBL4228383 0.86 HTR7 (0.55) TMEM97LMNAMAPTHTT
Hydrochloric Acid SCHEMBL4222507 0.86 GRIN1 (0.47) TMEM97SIGMAR1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL4231364 0.86 HTR7 (0.54) TMEM97LMNAMAPTHTT
SCHEMBL4223134 0.85 TMEM97 (0.51) TMEM97DRD3SIGMAR1ABCB1DRD4
Hydrochloric Acid SCHEMBL2139892 0.84 HTR7 (0.54) TMEM97LMNAMAPTHTT
SCHEMBL10035644 0.82 TMEM97 (0.50) TMEM97DRD3ABCB1DRD4
Hydrochloric Acid SCHEMBL2141208 0.81 TMEM97 (0.49) TMEM97DRD3ABCB1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-20060040978-A1 5-HT7 receptor antagonists LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2006-02-23 US 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A TMEM97 100/4885DRD3 122/4885SIGMAR1 140/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A TMEM97 100/4885DRD3 122/4885SIGMAR1 140/4885

“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.