SCHEMBL20847333

SCHEMBL20847333

CC(C)C(O)C(C)CC(C)(C)N1CCC(CNC(=O)n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.43
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
HSD11B1 P28845 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35

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
SCHEMBL18626125 0.85 HTR4 (0.45) HTR4HRH1CCR3KCNH2PLD2
SCHEMBL18626130 0.78 PLD1 (0.49) HTR4HRH1CCR3KCNH2PLD2
SCHEMBL2360481 0.75 HTR4 (0.60) HTR4HRH1CCR3KCNH2PLD2
Hydrochloric Acid SCHEMBL7422509 0.74 KDM4E (0.58) HTR4PLD2PLD1
SCHEMBL5742996 0.66 CCR3 (0.42) HTR4HRH1CCR3KCNH2PLD2
SCHEMBL7599845 0.65 DAO (0.47)
SCHEMBL11275907 0.63 DAO (0.51)
SCHEMBL7536796 0.63 ALDH1A1 (0.53) HTR4
SCHEMBL2974917 0.63 HTR4 (0.73) HTR4
SCHEMBL8261242 0.63 PLD2 (0.45) HRH1CCR3KCNH2PLD2PLD1

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-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-03-28 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-20190092727-A1 Piperidine Compounds, Pharmaceutical Composition Comprising The Same And Its Use PGC, VIP, PIGO HTR4 308/4885HRH1 15/4885CCR3 1497/4885

“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.