SCHEMBL17025473

SCHEMBL17025473

CCOC(=O)CC(=O)N1CC[CH]CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
POLB P06746 4/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL1380137 0.84 TSHR (0.66) GAAPOLBTSHRLMNAALDH1A1
SCHEMBL11191041 0.83 ALOX15 (0.56) ALOX15GAAMGAMSIMGAM2
SCHEMBL11191103 0.81 ALOX15 (0.54) ALOX15GAAMGAMSIMGAM2
SCHEMBL9527006 0.81 ALOX15 (0.54) ALOX15GAAMGAMSIMGAM2
SCHEMBL16652519 0.81 ALOX15 (0.50) ALOX15GAAMGAMSIMGAM2
SCHEMBL5203267 0.80 ALOX15 (0.53) ALOX15GAAMGAMSIMGAM2
SCHEMBL12496081 0.80 ALOX15 (0.53) ALOX15GAAMGAMSIMGAM2
SCHEMBL293394 0.79 TSHR (0.57) GAAPOLBTSHRLMNAALDH1A1
SCHEMBL8176741 0.79 ALOX15 (0.51) ALOX15GAAMGAMSIMGAM2
SCHEMBL3707572 0.79 LMNA (0.73) ALOX15GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO claimed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US claimed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US claimed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO claimed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US claimed
CN-1976916-A Selected CGRP-antagonists, method for the production thereof and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-06-06 CN claimed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-9464055-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-10-11 US disclosed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US disclosed
US-9266835-B2 Quinoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2016-02-23 US disclosed
WO-2015130444-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
WO-2015130445-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-03 WO disclosed
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
US-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-08-27 US disclosed
CN-1976916-A Selected CGRP-antagonists, method for the production thereof and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-06-06 CN 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-20150239844-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 ALOX15 2214/4885GAA 1847/4885MGAM 4250/4885
US-20150239845-A1 QUINOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, CNR2, GPR119 ALOX15 2214/4885GAA 1847/4885MGAM 4250/4885
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 ALOX15 2594/4885GAA 1794/4885MGAM 4104/4885

“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.