SCHEMBL4218972

SCHEMBL4218972

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
KMT2A Q03164 1/20 0.48
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD3 P35462 4/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 1/20 0.47

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
SCHEMBL4223947 0.99 ABCB1 (0.51) ABCB1KMT2ATMEM97SIGMAR1DRD3
SCHEMBL2139395 0.96 KMT2A (0.52) ABCB1KMT2ATMEM97SIGMAR1
SCHEMBL8983344 0.95 ABCB1 (0.51) ABCB1KMT2ATMEM97SIGMAR1DRD3
Hydrochloric Acid SCHEMBL4234369 0.94 ABCB1 (0.50) ABCB1KMT2ATMEM97SIGMAR1DRD3
SCHEMBL10035600 0.93 ABCB1 (0.49) ABCB1KMT2ATMEM97SIGMAR1
SCHEMBL4220011 0.92 ABCB1 (0.54) ABCB1TMEM97SIGMAR1DRD3DRD4
Hydrochloric Acid SCHEMBL2138408 0.92 ABCB1 (0.48) ABCB1KMT2ATMEM97SIGMAR1
SCHEMBL4363006 0.91 ABCB1 (0.55) ABCB1TMEM97SIGMAR1DRD3DRD4
SCHEMBL2137506 0.90 DRD3 (0.53) KMT2ATMEM97DRD3DRD4DRD2
SCHEMBL4232121 0.90 ABCB1 (0.51) ABCB1KMT2ATMEM97SIGMAR1DRD3

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 12 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
EP-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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
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 ABCB1 528/4885KMT2A 2422/4885TMEM97 100/4885
US-20060040978-A1 5-HT7 receptor antagonists HTR7, HTR1A, HTR5A ABCB1 528/4885KMT2A 2422/4885TMEM97 100/4885

“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.