SCHEMBL16232201

SCHEMBL16232201

CC(C)[C@@H]1CC1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.52
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC9A1 P19634 1/20 0.38
ADRB2 P07550 1/20 0.37

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
SCHEMBL17189669 1.00 KDM1A (0.52) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL25004706 1.00 KDM1A (0.52) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL21503510 1.00 KDM1A (0.52) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL24974216 1.00 KDM1A (0.52) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL15254824 0.84 KDM1A (0.53) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL17781846 0.84 KDM1A (0.53) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL15254685 0.84 KDM1A (0.53) KDM1ASLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL25005430 0.80 CHRNA7 (0.33) KDM1ASLC6A3
SCHEMBL23995488 0.79 MDM2 (0.49) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL16232192 0.79 KDM1A (0.52) KDM1ASLC6A2SLC6A4SLC6A3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 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-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 KDM1A 285/4885SLC6A2 478/4885SLC6A4 762/4885

“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.