SCHEMBL3703328

SCHEMBL3703328

O=C1CCCc2o[c]cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.32
PRKCI P41743 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PLK1 P53350 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL333300 0.64 MAPT (0.42) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL17921637 0.62 PLK1 (0.39) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL10426958 0.61 TDP1 (0.53) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL29225055 0.61 POLB (0.43) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL28725429 0.61 POLB (0.40) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL24177880 0.61 POLB (0.40) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL16539381 0.61 PLK1 (0.38) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL9803087 0.59 CYP1A2 (0.51) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL23121598 0.59 KMT2A (0.39) MAOAMAOBCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL3878191 0.58 ALDH1A1 (0.35) ALDH1A1SMN1; 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126979-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US claimed
US-9126980-B2 Compounds for inhibiting the interaction of BCL2 with binding partners NOVARTIS AG (CH) 2015-09-08 US claimed
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2015-03-19 US claimed
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-12-04 US claimed
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2014-12-04 US claimed
US-20140350014-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2014-11-27 US claimed
US-20140343093-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS UCB PHARMA S.A. (BE) 2014-11-20 US claimed
EP-2794589-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794588-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794590-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794591-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
EP-2794592-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS Novartis AG (CH) 2014-10-29 EP claimed
WO-2013096051-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096049-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096060-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096055-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
WO-2013096059-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS NOVARTIS AG (CH) 2013-06-27 WO claimed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 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 (6 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK MAOA 592/4885MAOB 736/4885CYP2A6 4034/4885
US-20140343093-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAOA 4604/4885MAOB 3814/4885CYP2A6 4001/4885
US-20140357633-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAOA 4604/4885MAOB 3814/4885CYP2A6 4001/4885
US-20140357666-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAOA 4604/4885MAOB 3814/4885CYP2A6 4001/4885
US-20140350014-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAOA 4604/4885MAOB 3814/4885CYP2A6 4001/4885
US-20150080428-A1 COMPOUNDS FOR INHIBITING THE INTERACTION OF BCL2 WITH BINDING PARTNERS BCL2, BCL2A1, BCL2L1 MAOA 4588/4885MAOB 3824/4885CYP2A6 4136/4885

“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.