SCHEMBL8983344

SCHEMBL8983344

COc1cc2c(cc1OC)CN(CCCCNS(=O)(=O)c1cc(F)c(Cl)cc1F)CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.51
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
DRD3 P35462 4/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 1/20 0.47
KMT2A Q03164 1/20 0.46
HTR7 P34969 1/20 0.45

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
Hydrochloric Acid SCHEMBL4234369 0.99 ABCB1 (0.50) ABCB1TMEM97SIGMAR1DRD3DRD4
SCHEMBL10035600 0.97 ABCB1 (0.49) ABCB1TMEM97SIGMAR1KMT2AHTR7
SCHEMBL4223947 0.96 ABCB1 (0.51) ABCB1TMEM97SIGMAR1DRD3DRD4
Hydrochloric Acid SCHEMBL2138408 0.96 ABCB1 (0.48) ABCB1TMEM97SIGMAR1KMT2AHTR7
SCHEMBL4218972 0.95 ABCB1 (0.50) ABCB1TMEM97SIGMAR1DRD3DRD4
SCHEMBL4223248 0.93 ABCB1 (0.52) ABCB1TMEM97SIGMAR1DRD3DRD4
SCHEMBL2139395 0.93 KMT2A (0.52) ABCB1TMEM97SIGMAR1KMT2AHTR7
Hydrochloric Acid SCHEMBL4222766 0.93 ABCB1 (0.51) ABCB1TMEM97SIGMAR1DRD3DRD4
SCHEMBL4232121 0.93 ABCB1 (0.51) ABCB1TMEM97SIGMAR1DRD3DRD4
SCHEMBL4363006 0.92 ABCB1 (0.55) ABCB1TMEM97SIGMAR1DRD3DRD4

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
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-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 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 (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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 528/4885TMEM97 100/4885SIGMAR1 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.