SCHEMBL21140644

SCHEMBL21140644

CCN(C)CC(C)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL21140590 0.82 KMT2A (0.33)
SCHEMBL31249882 0.81
SCHEMBL20260096 0.80 CYP3A4 (0.34) CYP3A4CYP2D6CYP2C19
SCHEMBL30075593 0.80 SMN1; SMN2 (0.33) CYP3A4CYP2D6CYP2C19
SCHEMBL13999837 0.80 SLC6A2 (0.32) CYP3A4CYP2D6CYP2C19
SCHEMBL31249909 0.78
SCHEMBL20257616 0.78 CYP3A4 (0.32) CYP3A4CYP2D6CYP2C19
SCHEMBL20257560 0.77 RAB9A (0.40)
SCHEMBL17519182 0.76
SCHEMBL23869469 0.74 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C19

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
US-11548857-B2 Biodegradable compound, lipid particle, composition comprising lipid particle, and kit KABUSHIKI KAISHA TOSHIBA (JP) 2023-01-10 US disclosed
WO-2022254848-A1 FLOW CHANNEL STRUCTURE FOR REMOVING FOREIGN SUBSTANCE, METHOD FOR REMOVING FOREIGN SUBSTANCE, AND METHOD FOR MANUFACTURING LIPID PARTICLES KABUSHIKI KAISHA TOSHIBA (JP) 2022-12-08 WO disclosed
EP-3842412-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLES, COMPOSITION CONTAINING LIPID PARTICLES, AND KIT Kabushiki Kaisha Toshiba (JP) 2021-06-30 EP disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 US disclosed
US-20200270217-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLE, COMPOSITION COMPRISING LIPID PARTICLE, AND KIT KABUSHIKI KAISHA TOSHIBA (JP) 2020-08-27 US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 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 (4 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-11548857-B2 Biodegradable compound, lipid particle, composition comprising lipid particle, and kit KIT, NPY1R, CCKAR CYP3A4 3765/4885CYP2D6 2682/4885CYP2C19 1897/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE CYP3A4 713/4885CYP2D6 984/4885CYP2C19 1068/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 CYP3A4 761/4885CYP2D6 1674/4885CYP2C19 1009/4885
US-20200270217-A1 BIODEGRADABLE COMPOUND, LIPID PARTICLE, COMPOSITION COMPRISING LIPID PARTICLE, AND KIT KIT, NPY1R, CCKAR CYP3A4 3765/4885CYP2D6 2682/4885CYP2C19 1897/4885

“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.