SCHEMBL2320872

SCHEMBL2320872

Cc1cc2cc(F)ccc2cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2A6 P11509 2/20 0.57
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 2/20 0.41
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
BACE1 P56817 1/20 0.38
TDO2 P48775 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 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
SCHEMBL8160185 0.92 CYP1A2 (0.57) CYP1A2CYP2A6CASP3SENP8SENP7
SCHEMBL22906823 0.81 MAPT (0.71) MAPT
SCHEMBL6845000 0.78 CYP1A2 (0.61) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL21632461 0.77 CYP1A2 (0.59) CYP1A2CYP2A6ABL1CCR1CCR5
SCHEMBL18266965 0.77 CYP1A2 (0.64) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL8167276 0.76 CYP1A2 (0.52) CYP1A2CYP2A6CASP3SENP8SENP7
SCHEMBL22833705 0.75 PDPK1 (0.57) CYP1A2CYP2A6CASP3SENP8SENP7
SCHEMBL1563936 0.75 CYP1A2 (0.57) CYP1A2CYP2A6MAPTCCR1CCR5
SCHEMBL6845001 0.75 CYP2A6 (0.57) CYP1A2CYP2A6MAPTABL1CCR1
SCHEMBL7990724 0.75 CYP1A2 (0.57) CYP1A2CYP2A6ABL1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018038667-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 WO disclosed
WO-2018038668-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 WO disclosed
WO-2018038667-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 WO disclosed
WO-2018038668-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2018-03-01 WO disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
CN-103635458-B Trpv1 antagonists 艾伯维公司 2016-10-19 CN disclosed
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
CN-102245587-A Trpv1 antagonists ABBOTT LAB 2011-11-16 CN disclosed
CN-102186836-A Trpv1 antagonists ABBOTT LAB 2011-09-14 CN disclosed
EP-2352727-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
EP-2352726-A1 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2011-08-10 EP disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed
WO-2010045402-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
WO-2010045401-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-04-22 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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 (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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 CYP1A2 943/4885CYP2A6 1601/4885CASP3 4240/4885
US-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CYP1A2 1816/4885CYP2A6 1201/4885CASP3 1178/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 CYP1A2 1731/4885CYP2A6 1168/4885CASP3 1255/4885

“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.