SCHEMBL16232157

SCHEMBL16232157

Cc1ccccc1[C@@H]1C[C@H]1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
SLC9A1 P19634 1/20 0.43
PRCP P42785 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR1 P21554 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM1A O60341 2/20 0.40
FFAR1 O14842 1/20 0.39
AR P10275 2/20 0.38
HDAC4 P56524 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 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
SCHEMBL3423257 0.85 FFAR1 (0.52) HTR2CHTR2AHTR2BSLC9A1KDM1A
SCHEMBL14892502 0.85 FFAR1 (0.52) HTR2CHTR2AHTR2BSLC9A1KDM1A
SCHEMBL6082005 0.78 TSHR (0.49) HTR2CHTR2AHTR2BTSHR
SCHEMBL25058901 0.75 HTR2C (0.59) HTR2CHTR2AHTR2BKDM1ATSHR
SCHEMBL31265551 0.73 HTR2A (0.36) HTR2CHTR2AHTR2BPRCPCYP3A4
SCHEMBL3421675 0.73 FFAR1 (0.45) SLC9A1FFAR1AR
SCHEMBL8183655 0.72 HDAC4 (0.63) SLC9A1FFAR1HDAC4GAA
SCHEMBL987381 0.72 HDAC4 (0.63) SLC9A1FFAR1HDAC4GAA
SCHEMBL12431140 0.72 HDAC4 (0.63) SLC9A1FFAR1HDAC4GAA
SCHEMBL452300 0.72 HDAC4 (0.63) SLC9A1FFAR1HDAC4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2C 2143/4885HTR2A 1881/4885HTR2B 1129/4885

“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.