SCHEMBL13239697

SCHEMBL13239697

CN1CCN(CCCOC(=O)C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HRH3 Q9Y5N1 5/20 0.47
DRD3 P35462 2/20 0.47
PAOX Q6QHF9 1/20 0.46
SLC29A1 Q99808 4/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 2/20 0.39
ABCC4 O15439 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 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
SCHEMBL20990570 0.89 ALDH1A1 (0.57) ALDH1A1HRH3DRD3PAOXSLC29A1
SCHEMBL9963878 0.86 CYP2D6 (0.50) ALDH1A1HRH3POLBGAAMEN1
SCHEMBL13239699 0.83 KDM4E (0.49) ALDH1A1HRH3PAOXPOLBGAA
SCHEMBL27601008 0.83 MEN1 (0.48) ALDH1A1HRH3POLBGAANPSR1
SCHEMBL27719504 0.81 HRH3 (0.47) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL12422451 0.81 HRH3 (0.46) ALDH1A1HRH3GAAKDM4E
SCHEMBL12422452 0.81 HRH3 (0.46) ALDH1A1HRH3GAAKDM4E
SCHEMBL16845085 0.80 HRH3 (0.50) ALDH1A1HRH3DRD3PAOXSLC29A1
SCHEMBL8440453 0.80 ALDH1A1 (0.41) ALDH1A1HRH3DRD3PAOXPOLB
SCHEMBL12422453 0.80 HRH3 (0.48) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759356-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-20 US disclosed
US-7754730-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-07-13 US disclosed
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2009-02-26 US disclosed
US-7468373-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-23 US disclosed
US-7345052-B2 Arylindenopyridines and arylindenopyrimidines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-03-18 US disclosed
US-20070155760-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 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 (2 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-20070155760-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 ALDH1A1 192/4885HRH3 141/4885DRD3 375/4885
US-20090054429-A1 ARYLINDENOPYRIDINES AND ARYLINDENOPYRIMIDINES AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ADORA2A, ADORA1, ADORA3 ALDH1A1 192/4885HRH3 141/4885DRD3 375/4885

“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.