SCHEMBL6521913

SCHEMBL6521913

CCN(C(=O)C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MLYCD O95822 4/20 0.43
PKM P14618 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
NOTUM Q6P988 1/20 0.41
MC4R P32245 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
PDK2 Q15119 1/20 0.40
HPGD P15428 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
HTR6 P50406 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 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
Hydrochloric Acid SCHEMBL3395885 0.99 KDM2B (0.45) KDM2BHTR2AHTR2CMLYCDPKM
SCHEMBL3422810 0.89 KDM2B (0.45) KDM2BMLYCDPKMSLC6A5NOTUM
SCHEMBL6521921 0.83 HTR2C (0.43) HTR2CMLYCDGPR88
Hydrochloric Acid SCHEMBL3394146 0.82 HTR2C (0.44) HTR2CMLYCDGPR88
SCHEMBL6843778 0.77 MLYCD (0.64) MLYCD
SCHEMBL6843906 0.75 MLYCD (0.61) MLYCD
SCHEMBL2056146 0.75 HTR2A (0.51) HTR2AHTR2CSLC6A5MC4RHTR6
SCHEMBL2938750 0.74 MLYCD (0.60) MLYCD
SCHEMBL6229257 0.73 MLYCD (0.54) MLYCD
SCHEMBL3418705 0.70 MLYCD (0.50) MLYCD

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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KDM2B 900/4885HTR2A 43/4885HTR2C 59/4885

“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.