SCHEMBL20739299

SCHEMBL20739299

CCCC(CC)OCCCN1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 9/20 0.39
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
ACHE P22303 1/20 0.39
KCNA3 P22001 1/20 0.37
SLC6A4 P31645 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34

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
SCHEMBL21738354 0.94 SPHK1 (0.41) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL22891062 0.87 SPHK1 (0.40) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL20332790 0.83 HRH3 (0.40) MEN1ALDH1A1CYP2D6KMT2AHRH3
SCHEMBL26240693 0.82 HRH2 (0.34) HRH3HRH2HRH1GNAI3GNAO1
SCHEMBL22890988 0.81 HRH3 (0.37) ALDH1A1RAB9AHRH3HRH2HRH1
SCHEMBL22890929 0.80 HRH3 (0.41) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL8501119 0.78 HRH3 (0.43) SPHK1MEN1ALDH1A1CYP2D6RAB9A
SCHEMBL23183526 0.78 HRH3 (0.39) MEN1ALDH1A1KMT2AHRH3HRH1
SCHEMBL25870470 0.77 LMNA (0.40) MEN1CYP2D6KMT2ASLC6A4
SCHEMBL23183414 0.77 ALDH1A1 (0.37) ALDH1A1RAB9AHRH3HRH2HRH1

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-10392405-B2 Macrocyclic immunomodulators CHEMOCENTRYX, INC. (US) 2019-08-27 US disclosed
US-20190048022-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. 2019-02-14 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 (2 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-20190048022-A1 MACROCYCLIC IMMUNOMODULATORS IL2, IL2RA, C3AR1 SPHK1 571/4885MEN1 771/4885ALDH1A1 1925/4885
US-10392405-B2 Macrocyclic immunomodulators IL2, IL2RA, C3AR1 SPHK1 571/4885MEN1 771/4885ALDH1A1 1925/4885

“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.