SCHEMBL4979744

SCHEMBL4979744

Cc1ccccc1OCC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NOTUM Q6P988 1/20 0.50
CNR1 P21554 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KDM4E B2RXH2 5/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4975411 0.93 MEN1 (0.47) MEN1KMT2ANOTUMKDM4EPOLB
SCHEMBL4976502 0.91 KDM4E (0.50) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL4980666 0.90 SMN1; SMN2 (0.51) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL4976178 0.90 MEN1 (0.50) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL4979902 0.90 KDM4E (0.54) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL4976714 0.89 KDM4E (0.51) KDM4EPOLBTDP1SMN1; SMN2ALDH1A1
SCHEMBL4980423 0.88 LMNA (0.56) MEN1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL14346933 0.88 KDM4E (0.42) KDM4EPOLBTDP1SMN1; SMN2ALDH1A1
SCHEMBL4973559 0.88 KDM4E (0.59) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL4980557 0.86 KDM4E (0.49) MEN1KMT2AKDM4EPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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 (1 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 MEN1 4419/4885KMT2A 1417/4885NOTUM 4156/4885

“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.