SCHEMBL3828003

SCHEMBL3828003

O=P(O)(O)OC(O)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP2C19 P33261 2/20 0.39
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.31
SMPD1 P17405 3/20 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
SCHEMBL10414089 0.81 LMNA (0.41) LMNACYP2C19
SCHEMBL10595209 0.77 CYP2C19 (0.38) LMNACYP2C19TDP1FDPSBLM
SCHEMBL7762353 0.76 TDP1 (0.33) TDP1KDM4ETSHRFDPSBLM
SCHEMBL5812370 0.75 CYP2C19 (0.33) LMNACYP2C19
SCHEMBL28529710 0.74 CYP2C19 (0.34) LMNACYP2C19TDP1KDM4EFDPS
SCHEMBL5968456 0.73 LMNA (0.50) LMNACYP2C19TSHR
SCHEMBL7537720 0.72 LMNA (0.48) LMNACYP2C19
SCHEMBL3244386 0.69 LMNA (0.56) LMNACYP2C19TDP1KDM4ETSHR
SCHEMBL31567929 0.69
SCHEMBL28483902 0.67 FDPS (0.41) TDP1FDPSBLMSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP disclosed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 US disclosed
EP-1300395-B1 4-SUBSTITUTED PIPERIDINE COMPOUND EISAI R&D MAN CO LTD (JP) 2009-09-02 EP disclosed
EP-1209151-B1 4-SUBSTITUTED PIPERIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2007-04-25 EP disclosed
US-7091218-B1 4-substituted piperidine compound EISAI CO., LTD. (JP) 2006-08-15 US disclosed
US-6906083-B2 4-substituted piperidine compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20050026895-A1 4-Substituted piperidine compound EISAI CO., LTD. 2005-02-03 US disclosed
US-20030166925-A1 4-Substituted piperidine compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-04 US disclosed
EP-1300395-A1 4-SUBSTITUTED PIPERIDINE COMPOUND Eisai Co., Ltd. (JP) 2003-04-09 EP disclosed
EP-1209151-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2002-05-29 EP disclosed
US-4950658-A Method of medical treatment of Alzheimer's disease BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIV. (US) 1990-08-21 US disclosed
WO-1990006122-A1 METHOD OF MEDICAL TREATMENT OF ALZHEIMER'S DISEASE THE BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 1990-06-14 WO disclosed
EP-0100856-A1 Formulations effective against ectoparasites A. Nattermann & Cie. GmbH (DE) 1984-02-22 EP 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-20050026895-A1 4-Substituted piperidine compound ACHE, CHRM2, CHRM1 LMNA 3157/4885CYP2C19 557/4885TDP1 2020/4885
US-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT LMNA 3177/4885CYP2C19 182/4885TDP1 1157/4885
US-20030166925-A1 4-Substituted piperidine compound ACHE, CHRM4, CHRM1 LMNA 3613/4885CYP2C19 851/4885TDP1 1433/4885

“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.