SCHEMBL2074535

SCHEMBL2074535

CC(C)(C)OC(=O)N1CCc2[nH]n(-c3ccccc3)c(=O)c2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GPR119 Q8TDV5 3/20 0.49
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
DTYMK P23919 1/20 0.41
MAPK1 P28482 1/20 0.40
PDK4 Q16654 1/20 0.40
P2RX3 P56373 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
USP30 Q70CQ3 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL1969700 0.92 MEN1 (0.49) MEN1KMT2AGPR119ALDH1A1POLB
SCHEMBL3295060 0.75 MAPK1 (0.44) MEN1KMT2AGPR119ALDH1A1GRM5
SCHEMBL21041596 0.73 P2RX3 (0.48) GPR119MAPK1P2RX3PARP1TNKS2
SCHEMBL6293337 0.73 PARP1 (0.44) GPR119GRM5MAPK1P2RX3PARP1
SCHEMBL1311162 0.73 MAPK1 (0.44) MEN1KMT2AGPR119ALDH1A1GRM5
SCHEMBL6474214 0.72 LMNA (0.60) KMT2AKDM4E
SCHEMBL1458887 0.71 GPR119 (0.76) MEN1KMT2AGPR119ALDH1A1TSHR
SCHEMBL507146 0.71 NR1H2 (0.61) GPR119MAPK1PDK4KDM4EPKM
SCHEMBL2075898 0.71 KDM4E (0.45) MEN1KMT2AGPR119KDM4EPARP1
SCHEMBL15867519 0.70 ESR2 (0.43) MAPK1P2RX3KDM4EPARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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 (4 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B MEN1 1063/4885KMT2A 3501/4885GPR119 218/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B MEN1 1063/4885KMT2A 3501/4885GPR119 218/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B MEN1 1063/4885KMT2A 3501/4885GPR119 218/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B MEN1 1063/4885KMT2A 3501/4885GPR119 218/4885

“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.