SCHEMBL10503573

SCHEMBL10503573

C[N+](C)(C)CCCCO.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KCNH2 Q12809 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BBOX1 O75936 1/20 0.40
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
CA2 P00918 5/20 0.38
CA1 P00915 2/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL10598262 0.98 KCNH2 (0.45) LMNACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL10598903 0.98 KCNH2 (0.45) LMNACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL10599444 0.95 CYP3A4 (0.43) LMNACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL11725693 0.90 LMNA (0.50) LMNACYP2D6CYP2C9CYP2C19KCNH2
Choline SCHEMBL506429 0.88 CYP3A4 (0.46) LMNACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL10756870 0.87 ALDH1A1 (0.42) LMNACYP2D6CYP2C9CYP2C19TSHR
Choline SCHEMBL28623707 0.86 CYP3A4 (0.46) LMNACYP2D6CYP2C9CYP2C19KCNH2
SCHEMBL10598909 0.85 ALDH1A1 (0.41) LMNACYP2D6CYP2C9CYP2C19HTT
SCHEMBL10598268 0.85 ALDH1A1 (0.41) LMNACYP2D6CYP2C9CYP2C19HTT
Choline SCHEMBL28992902 0.85 CYP3A4 (0.45) LMNACYP2D6CYP2C9CYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220265857-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2022-08-25 US disclosed
EP-3386484-B1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX INC (US) 2022-03-30 EP disclosed
US-11285222-B2 Compositions and methods for delivery of agents MODERNATX, INC. (US) 2022-03-29 US disclosed
US-20200206362-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS Moderna TX, Inc. (US) 2020-07-02 US disclosed
US-10556018-B2 Compositions and methods for delivery of agents ARES CAPITAL CORPORATION, AS AGENT 2020-02-11 US disclosed
US-20190117798-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2019-04-25 US disclosed
US-10207010-B2 Compositions and methods for delivery of agents MODERNATX, INC. (US) 2019-02-19 US disclosed
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-05-31 US disclosed
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS MODERNATX, INC. (US) 2018-02-01 US disclosed
EP-0154977-B1 GLYCERIN-ETHER PHOSPHATIDES, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-05-17 EP disclosed
US-4694084-A Glycerol ether phosphatides HOFFMANN-LA ROCHE INC. (US) 1987-09-15 US disclosed
EP-0154977-A2 Glycerin-ether phosphatides, their preparation and use F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-09-18 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 (8 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-20190117798-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-10556018-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-20200206362-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-10207010-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-11285222-B2 Compositions and methods for delivery of agents HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-20220265857-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-20180147298-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885
US-20180028664-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS HDLBP, APOB, TSG101 LMNA 248/4885CYP2D6 4634/4885CYP2C9 4726/4885

“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.