SCHEMBL856195

SCHEMBL856195

NCCCCN1CCC(F)(F)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CPB2 Q96IY4 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KIF11 P52732 1/20 0.33
OPRM1 P35372 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL2672697 0.94 KEAP1 (0.42) KEAP1SMN1; SMN2SIGMAR1NOS3NOS1
Hydrochloric Acid SCHEMBL2673870 0.92 KEAP1 (0.41) KEAP1SMN1; SMN2SIGMAR1NOS3NOS1
SCHEMBL2442188 0.85 ALOX15 (0.46) NOS3NOS1NOS2KIF11OPRM1
Hydrochloric Acid SCHEMBL15664581 0.83 ALOX15 (0.44)
Hydrochloric Acid SCHEMBL23886017 0.83 ALOX15 (0.44)
SCHEMBL2206093 0.81 KEAP1 (0.50) KEAP1SMN1; SMN2SIGMAR1NOS3NOS1
SCHEMBL20331193 0.80 S1PR1 (0.50) SIGMAR1S1PR4S1PR1S1PR3S1PR5
SCHEMBL14921181 0.79 HRH3 (0.35) NOS3NOS1NOS2HRH3OPRM1
SCHEMBL19404534 0.78 S1PR1 (0.53) SIGMAR1S1PR4S1PR1S1PR3S1PR5
SCHEMBL4489191 0.78 HRH3 (0.34) NOS3NOS1NOS2HRH3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 EP disclosed
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 KEAP1 440/4885SMN1; SMN2 3806/4885SIGMAR1 641/4885

“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.