SCHEMBL25516801

SCHEMBL25516801

CC(C)[C@H]1CCc2cnccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNA4 P43681 3/20 0.38
CHRNA7 P36544 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
FDPS P14324 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL10297581 1.00 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2
SCHEMBL8225223 0.90 CHRNB2 (0.46) SIGMAR1CHRNB2CHRNA4CHRNA7IDO1
SCHEMBL2669659 0.86 CHRNB2 (0.49) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2
SCHEMBL19044027 0.77 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2
SCHEMBL14161103 0.77 CYP19A1 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL10297549 0.76 CHRNB2 (0.58) SIGMAR1CHRNB2CHRNA4CHRNA7FDPS
SCHEMBL15386162 0.76 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2
SCHEMBL30251479 0.76 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2
SCHEMBL18816531 0.76 IDO1 (0.43) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2
SCHEMBL10297727 0.76 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4CHRNA7DRD2

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-20230159543-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-05-25 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-20230159543-A1 ANTHELMINTIC PYRROLOPYRIDAZINE COMPOUNDS IL5, EPX, MPO SIGMAR1 4760/4885CHRNB2 4449/4885CHRNA4 3856/4885

“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.