SCHEMBL26686102

SCHEMBL26686102

C#CCCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
GBA1 P04062 1/20 0.33
GNAO1 P09471 1/20 0.33
SLC6A4 P31645 2/20 0.32
GABRA5 P31644 3/20 0.31
GABRB2 P47870 3/20 0.31
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRE P78334 1/20 0.31
PMP22 Q01453 1/20 0.31

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 SCHEMBL31747446 0.98 GNAO1 (0.36) HRH3GBA1GNAO1SLC6A4GABRA5
SCHEMBL16978763 0.86 HRH3 (0.39) HRH3GBA1GNAO1SLC6A4ITGB3
SCHEMBL31752202 0.85 HRH3 (0.38) HRH3GBA1GNAO1SLC6A4ITGB3
Hydrochloric Acid SCHEMBL31752907 0.83 GNAO1 (0.37) HRH3GNAO1SLC6A4ITGB3ITGA2B
SCHEMBL376856 0.82
SCHEMBL236468 0.77
SCHEMBL3957409 0.76 HRH3 (0.35) HRH3GBA1GNAO1SLC6A4GABRA5
SCHEMBL1762532 0.76 POLB (0.40) HRH3GBA1GNAO1SLC6A4GABRA5
SCHEMBL332080 0.76 GNAO1 (0.45) HRH3GBA1GNAO1SLC6A4GABRA5
SCHEMBL4195682 0.75

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB HRH3 3648/4885GBA1 3414/4885GNAO1 2142/4885

“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.