SCHEMBL22430355

SCHEMBL22430355

CCCCC(C)CCN1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
GNAO1 P09471 6/20 0.40
GNAI3 P08754 5/20 0.40
GNAI1 P63096 5/20 0.40
CXCR4 P61073 2/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SOD3 P08294 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL22430415 0.89 SMN1; SMN2 (0.39) SIGMAR1GNAO1GNAI3GNAI1CXCR4
SCHEMBL26940040 0.85 CXCR4 (0.44) SIGMAR1GNAO1GNAI3GNAI1CXCR4
SCHEMBL4715980 0.85 LMNA (0.46) SIGMAR1CXCR4POLBSMN1; SMN2CHRM5
SCHEMBL22397777 0.82 HRH3 (0.39) USP2
SCHEMBL3094801 0.82 SMN1; SMN2 (0.41) SIGMAR1GNAO1GNAI3GNAI1CXCR4
SCHEMBL15363095 0.82 HRH3 (0.39) USP2
SCHEMBL15363020 0.81 HRH3 (0.43)
SCHEMBL19144698 0.81 HRH3 (0.43)
SCHEMBL22415212 0.80 SIGMAR1 (0.40) SIGMAR1GNAO1GNAI3GNAI1CXCR4
SCHEMBL20333414 0.79 CXCR4 (0.46) SIGMAR1GNAO1GNAI3GNAI1CXCR4

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-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 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 (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-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC SIGMAR1 3871/4885GNAO1 2827/4885GNAI3 2396/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC SIGMAR1 3871/4885GNAO1 2827/4885GNAI3 2396/4885

“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.