SCHEMBL4223134

SCHEMBL4223134

COc1cc2c(cc1OC)CN(CCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.51
DRD3 P35462 5/20 0.49
DRD4 P21917 4/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
ABCB1 P08183 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL10035644 0.97 TMEM97 (0.50) TMEM97DRD3DRD4DRD2DRD1
Hydrochloric Acid SCHEMBL2141208 0.96 TMEM97 (0.49) TMEM97DRD3DRD4DRD2DRD1
SCHEMBL8980845 0.88 DRD3 (0.54) TMEM97DRD3DRD4DRD2DRD1
Hydrochloric Acid SCHEMBL4228365 0.87 DRD3 (0.54) TMEM97DRD3DRD4DRD2DRD1
SCHEMBL8980784 0.87 DRD3 (0.54) TMEM97DRD3DRD4DRD2DRD1
Hydrochloric Acid SCHEMBL4222951 0.86 DRD3 (0.53) TMEM97DRD3DRD4DRD2DRD1
SCHEMBL8983817 0.86 HTR7 (0.60) DRD3DRD2
SCHEMBL8981292 0.85 HTR7 (0.55) TMEM97DRD3DRD4DRD2DRD1
SCHEMBL10035556 0.85 CCR1 (0.53) TMEM97DRD3DRD4DRD2DRD1
SCHEMBL8982513 0.85 KMT2A (0.57) TMEM97DRD3DRD4DRD2DRD1

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
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
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-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 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 122/4885DRD4 101/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A TMEM97 100/4885DRD3 122/4885DRD4 101/4885

“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.