SCHEMBL18803166

SCHEMBL18803166

C=C(O)C1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KCNA3 P22001 1/20 0.33
ATM Q13315 1/20 0.33
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FUCA1 P04066 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
SCN1A P35498 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL991996 0.81 CHRM2 (0.38) CHRM3CHRM2CHRM1CYP1A2KMT2A
SCHEMBL4047414 0.81 CHRM2 (0.38) CHRM3CHRM2CHRM1CYP1A2KMT2A
SCHEMBL23274047 0.81 CHRM2 (0.38) CHRM3CHRM2CHRM1CYP1A2KMT2A
SCHEMBL23415467 0.79 CHRM2 (0.37) CHRM3CHRM2CHRM1CYP1A2SMN1; SMN2
SCHEMBL23415469 0.79 CHRM2 (0.37) CHRM3CHRM2CHRM1CYP1A2SMN1; SMN2
SCHEMBL23415565 0.79 CHRM2 (0.37) CHRM3CHRM2CHRM1CYP1A2SMN1; SMN2
SCHEMBL3825923 0.78 CHRM3 (0.36) LMNACHRM3CHRM2CHRM1CYP1A2
SCHEMBL3825928 0.78 MAPT (0.40) LMNACHRM3CHRM2CHRM1CYP1A2
SCHEMBL30537611 0.77 CHRM3 (0.35) LMNACHRM3CHRM2CHRM1CYP1A2
Lithium Ion SCHEMBL29888438 0.77 CHRM3 (0.35) LMNACHRM3CHRM2CHRM1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 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-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB LMNA 3771/4885L3MBTL1 3595/4885KCNA3 4729/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 LMNA 3714/4885L3MBTL1 2207/4885KCNA3 4800/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 LMNA 3714/4885L3MBTL1 2207/4885KCNA3 4800/4885

“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.