SCHEMBL31732076

SCHEMBL31732076

C#CCCCCCN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.55
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 1/20 0.39
GNAO1 P09471 5/20 0.39
GNAI3 P08754 4/20 0.39
GNAI1 P63096 4/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HSD17B10 Q99714 1/20 0.35
KDM1A O60341 1/20 0.35
SOD3 P08294 2/20 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
Hydrochloric Acid SCHEMBL31731774 0.98 CXCR4 (0.53) CXCR4POLBSMN1; SMN2SIGMAR1MAPT
SCHEMBL17262348 0.98 CXCR4 (0.52) CXCR4POLBSMN1; SMN2SIGMAR1MAPT
SCHEMBL31732066 0.93 CXCR4 (0.68) CXCR4POLBSMN1; SMN2SIGMAR1MAPT
SCHEMBL313162 0.92 POLB (0.52) CXCR4POLBSMN1; SMN2SIGMAR1MAPT
SCHEMBL313814 0.83 POLB (0.61) CXCR4POLBSMN1; SMN2SIGMAR1HRH3
SCHEMBL21569302 0.82 CXCR4 (0.74) CXCR4POLBSMN1; SMN2SIGMAR1GNAO1
SCHEMBL11721752 0.82 CXCR4 (0.74) CXCR4POLBSMN1; SMN2SIGMAR1GNAO1
SCHEMBL11726023 0.82 CXCR4 (0.74) CXCR4POLBSMN1; SMN2SIGMAR1GNAO1
Hydrochloric Acid SCHEMBL14126883 0.81 POLB (0.59) CXCR4POLBSMN1; SMN2SIGMAR1HRH3
SCHEMBL6657549 0.80 CXCR4 (0.78) CXCR4POLBSMN1; SMN2SIGMAR1GNAO1

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-20250354195-A1 METHOD OF SCREENING UNIV DUNDEE (GB) 2025-11-20 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-20250354195-A1 METHOD OF SCREENING PAICS, COASY, ABCG2 CXCR4 2708/4885POLB 471/4885SMN1; SMN2 1473/4885

“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.