SCHEMBL27979100

SCHEMBL27979100

O=CN1CC(N2CCOCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP2A13 Q16696 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
OPRL1 P41146 2/20 0.33
LMNA P02545 1/20 0.30
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL1306429 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDPIK3R1PIK3CA
SCHEMBL3631668 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDPIK3R1PIK3CA
SCHEMBL19775351 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDPIK3R1PIK3CA
SCHEMBL1306587 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDL3MBTL1L3MBTL3
SCHEMBL20793178 0.80 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL28462314 0.79 MEN1 (0.42) L3MBTL1L3MBTL3
Hydrochloric Acid SCHEMBL31693414 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDL3MBTL1L3MBTL3
Hydrochloric Acid SCHEMBL31693240 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDL3MBTL1L3MBTL3
SCHEMBL26026722 0.77 HRH3 (0.38) SMN1; SMN2ALDH1A1HPGDCYP2A13OPRL1
SCHEMBL29266771 0.77 MEN1 (0.41) L3MBTL1L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 WO claimed
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN claimed
US-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER MERCK PATENT GMBH (DE) 2022-04-28 US claimed
WO-2024035194-A1 NOVEL HETEROARYL-SUBSTITUTED DERIVATIVE AND COMPOSITION FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASE, CANCER, AND INFLAMMATORY DISEASE COMPRISING SAME 환인제약 주식회사 2024-02-15 WO disclosed
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN disclosed
CN-102459272-B Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH INC 2014-08-06 CN 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-20220127254-A1 INDAZOLYL-ISOXAZOLE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER KIT, TNNI3K, CILK1 SMN1; SMN2 4084/4885ALDH1A1 421/4885HPGD 788/4885

“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.