SCHEMBL22280407

SCHEMBL22280407

CCC(C)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 7/20 0.35
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
LMNA P02545 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
SCHEMBL22281038 0.86 MEN1 (0.36) SMN1; SMN2L3MBTL3L3MBTL1HRH3OPRL1
SCHEMBL25066719 0.86 HRH3 (0.42) HRH3TP53
SCHEMBL23219677 0.84 SMN1; SMN2 (0.33) SMN1; SMN2HRH3ALDH1A1LMNA
SCHEMBL23784287 0.81 L3MBTL3 (0.42) L3MBTL3L3MBTL1HRH3OPRL1TP53
SCHEMBL8255414 0.81 HRH3 (0.46) SMN1; SMN2L3MBTL3L3MBTL1HRH3OPRL1
SCHEMBL23108665 0.80 KMT2A (0.42) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL21564194 0.80 KMT2A (0.42) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL643674 0.80 KMT2A (0.42) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL22456358 0.80 TSHR (0.40) L3MBTL1HRH3OPRL1TP53
SCHEMBL3773717 0.80 KDM4E (0.57) L3MBTL3L3MBTL1HRH3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20210009613-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-01-14 US disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 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 (3 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-20210009613-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY ALK, SKP1, ROS1 SMN1; SMN2 1049/4885L3MBTL3 2131/4885L3MBTL1 1240/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD SMN1; SMN2 2349/4885L3MBTL3 813/4885L3MBTL1 751/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 SMN1; SMN2 3216/4885L3MBTL3 4536/4885L3MBTL1 4555/4885

“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.