SCHEMBL753802

SCHEMBL753802

O=C(O)c1oc(C2CCCCC2)cc1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
S1PR1 P21453 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
PTGDR Q13258 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
AGER Q15109 2/20 0.38
MTNR1A P48039 1/20 0.38
ADCY1 Q08828 1/20 0.36
GLA P06280 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SSTR3 P32745 1/20 0.36

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
SCHEMBL765523 0.89 CNR2 (0.41) CNR1CNR2S1PR1MEN1KMT2A
SCHEMBL27844391 0.87 CNR2 (0.39) CNR1CNR2S1PR1MEN1KMT2A
SCHEMBL18531596 0.86 CNR1 (0.45) CNR1CNR2S1PR1MEN1KMT2A
SCHEMBL751935 0.83 CNR1 (0.41) CNR1CNR2MEN1KMT2APTGDR2
SCHEMBL16921576 0.83 CNR1 (0.41) CNR1CNR2MEN1KMT2APTGDR2
SCHEMBL16921575 0.82 CNR1 (0.41) CNR1CNR2S1PR1MEN1KMT2A
SCHEMBL753687 0.78 LIPG (0.43) CNR1CNR2POLBGLAPDE3B
SCHEMBL10290072 0.76 MEN1 (0.37) CNR1CNR2MEN1KMT2APOLB
SCHEMBL27606216 0.76 CNR1 (0.32) CNR1CNR2
SCHEMBL10290766 0.74 CNR2 (0.44) CNR1CNR2MEN1KMT2ASMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CNR1 3266/4885CNR2 4345/4885S1PR1 3558/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR1 2564/4885CNR2 3965/4885S1PR1 3718/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR1 2564/4885CNR2 3965/4885S1PR1 3718/4885

“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.