SCHEMBL3856852

SCHEMBL3856852

CCC(N)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMYD2 Q9NRG4 3/20 0.35
SIGMAR1 Q99720 2/20 0.31
HTR2A P28223 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
SCHEMBL21660401 0.91 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL23703399 0.91 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL14508005 0.90 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2SIGMAR1
SCHEMBL25330679 0.86 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2SIGMAR1
SCHEMBL26651024 0.85 SMYD2 (0.39) CYP3A4HTTSMN1; SMN2SMYD2SIGMAR1
SCHEMBL23718429 0.84 SIGMAR1 (0.36) CYP3A4HTTSMN1; SMN2SMYD2SIGMAR1
SCHEMBL28517585 0.84 CYP3A4 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL913342 0.83 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3860447 0.83 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL4945388 0.83 SMYD2 (0.38) CYP3A4HTTSMN1; SMN2SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002409-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS JANSSEN BIOPHARMA INC (US) 2023-01-05 US disclosed
US-11312727-B1 Macrocyclic flu endonuclease inhibitors Janssen Biopharma, Inc. (US) 2022-04-26 US disclosed
EP-3864020-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS Janssen BioPharma, Inc. (US) 2021-08-18 EP disclosed
CN-113195502-A Macrocyclic influenza endonuclease inhibitors 詹森生物制药有限公司 2021-07-30 CN disclosed
EP-1687275-A4 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2009-01-14 EP disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 US disclosed
EP-1687275-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-08-09 EP disclosed
WO-2005051915-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-06-09 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 (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-20230002409-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS ACE, PNP, FEN1 CYP3A4 88/4885HTT 3983/4885SMN1; SMN2 3508/4885
US-11312727-B1 Macrocyclic flu endonuclease inhibitors ACE, FEN1, PNP CYP3A4 88/4885HTT 4089/4885SMN1; SMN2 3520/4885
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 CYP3A4 1093/4885HTT 3207/4885SMN1; SMN2 2110/4885

“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.