SCHEMBL18304585

SCHEMBL18304585

C1=C[C@@H](c2ccc3ccccc3c2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
SLC6A4 P31645 10/20 0.41
SLC6A2 P23975 8/20 0.41
SLC6A3 Q01959 8/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DRD2 P14416 1/20 0.38
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL5404857 1.00 KDM4E (0.49) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL16398421 0.89 KDM4E (0.47) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL5408877 0.89 KDM4E (0.47) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL4427570 0.82 KDM4E (0.47) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL24063374 0.78 KDM4E (0.44) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1052889 0.77 CYP2C19 (0.39)
SCHEMBL18304604 0.77 CYP2C19 (0.39)
SCHEMBL21531502 0.77 CYP2C19 (0.39)
SCHEMBL6398452 0.77 HSP90AA1 (0.34) KDM4ESLC6A2HTR2B
SCHEMBL10535903 0.76 SLC6A4 (0.43) SLC6A4KDM1AMAOBMAOA

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-10464861-B2 Asymmetric addition reactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-11-05 US disclosed
US-10464861-B2 Asymmetric addition reactions OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-11-05 US disclosed
EP-3307698-B1 ASYMMETRIC ADDITION REACTIONS UNIV OXFORD INNOVATION LTD (GB) 2019-09-18 EP disclosed
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-22 US disclosed
EP-3307698-A1 ASYMMETRIC ADDITION REACTIONS Oxford University Innovation Limited (GB) 2018-04-18 EP disclosed
WO-2016198836-A1 ASYMMETRIC ADDITION REACTIONS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO 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-10464861-B2 Asymmetric addition reactions CSPP1, CCRL2, CBR3 KDM4E 3816/4885SLC6A4 3573/4885SLC6A2 3045/4885
US-20180334414-A1 ASYMMETRIC ADDITION REACTIONS CSPP1, CCRL2, CBR3 KDM4E 3816/4885SLC6A4 3573/4885SLC6A2 3045/4885

“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.