SCHEMBL4988747

SCHEMBL4988747

CCCCCC1CCCN(OC=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.48
CYP1A2 P05177 2/20 0.40
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
BCHE P06276 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
S1PR4 O95977 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL27922489 0.83
SCHEMBL893269 0.76 CYP1A2 (0.50) LSSCYP1A2MEN1KMT2AHTT
SCHEMBL23295674 0.76
SCHEMBL23295677 0.76
SCHEMBL19454711 0.75 LSS (0.51) LSSCYP1A2PKMS1PR1S1PR3
SCHEMBL22326391 0.74 LSS (0.54) LSSCYP1A2MEN1KMT2AHTT
SCHEMBL14048611 0.74 LSS (0.54) LSSCYP1A2MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL23004257 0.73 LSS (0.53) LSSCYP1A2MEN1KMT2AHTT
Bromide SCHEMBL23004523 0.73 LSS (0.53) LSSCYP1A2MEN1KMT2AHTT
Iodide SCHEMBL23004271 0.73 LSS (0.53) LSSCYP1A2MEN1KMT2AHTT

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-7329673-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-02-12 US disclosed
US-20060183904-A1 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-08-17 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-20060183904-A1 Acylated spiropiperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R LSS 2062/4885CYP1A2 2064/4885PKM 3389/4885

“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.