SCHEMBL5553145

SCHEMBL5553145

COc1ccc2cc(CCO)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
BACE1 P56817 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP2D6 P10635 1/20 0.40
MAPT P10636 3/20 0.40
PDK1 Q15118 1/20 0.40
CYP2A6 P11509 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PSMB8 P28062 1/20 0.38

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
SCHEMBL5557274 0.92 CA2 (0.51) CA2CYP1A2CYP3A4CYP2C19ABCB11
SCHEMBL30416457 0.87 CA2 (0.50) CA2BACE1CYP1A2CYP3A4CYP2C19
SCHEMBL534427 0.87 CYP2A6 (0.53) CA2BACE1CYP1A2CYP3A4CYP2C19
SCHEMBL4445648 0.85 CA2 (0.49) CA2BACE1CYP1A2CYP3A4CYP2C19
SCHEMBL5553012 0.84 CA2 (0.48) CA2BACE1CYP1A2CYP3A4CYP2C19
SCHEMBL5243924 0.81 CA2 (0.51) CA2BACE1CYP1A2CYP3A4CYP2C19
SCHEMBL4440695 0.80 CA2 (0.44) CA2BACE1CYP1A2CYP3A4CYP2C19
SCHEMBL4415170 0.78 AKR1C2 (0.56) CA2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4849103 0.78 HDAC3 (0.46) CYP1A2MAPTCYP2A6RAB9ASMN1; SMN2
SCHEMBL13632630 0.77 CA2 (0.48) CA2BACE1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117667-B1 BENZOTHIENO[3,2-c]PYRIDINES AS ALPHA2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 EP disclosed
US-6774129-B2 ALPHA 2-ADRENOCEPTOR ANTAGONISTS; ANTIDEPRESSANTS AND TREATING PARKINSON'S DISEASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-10 US disclosed
EP-1119570-B1 TRICYCLIC DELTA3-PIPERIDINES AS PHARMACEUTICALS JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1140934-B1 BENZISOXAZOLES AND PHENONES AS ALPHA-2-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2003-10-08 EP disclosed
US-6576640-B1 Rapidly penetration into central nervous system; treating noradrenaline deficiency; depression, Parkinson's disease JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-10 US disclosed
US-20020169178-A1 Benzothieno[3,2-c]pyridines as alpha2 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-14 US disclosed
US-6426350-B1 ALPHA-2 ADRENOCEPTOR ANTAGONISTS; USE TREATING NERVOUS SYSTEM DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-30 US disclosed
US-6352999-B1 DRUGS FOR NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE AND ANTIDEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-05 US disclosed
EP-1140934-A1 BENZISOXAZOLES AND PHENONES AS $g(a) 2?-ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-10-10 EP disclosed
EP-1119570-A1 TRICYCLIC DELTA3-PIPERIDINES AS PHARMACEUTICALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 EP disclosed
EP-1117667-A1 BENZOTHIENO[3,2-c]PYRIDINES AS ALPHA2 ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-07-25 EP disclosed
WO-2000037466-A1 BENZISOXAZOLES AND PHENONES AS α2-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed
WO-2000020423-A1 TRICYCLIC Δ3-PIPERIDINES AS PHARMACEUTICALS JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-13 WO disclosed
WO-2000020422-A1 BENZOTHIENO[3,2-c]PYRIDINES AS α2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-13 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 (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-20020169178-A1 Benzothieno[3,2-c]pyridines as alpha2 antagonists ADRB2, ADRB1, ADRA1D CA2 562/4885BACE1 1244/4885CYP1A2 51/4885

“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.