SCHEMBL3364929

SCHEMBL3364929

CCN(C)CCOCCOC(=O)C(CC)(CC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.49
CHRM1 P11229 5/20 0.49
CHRM3 P20309 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
CHRM4 P08173 2/20 0.47
CHRM5 P08912 1/20 0.47
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
SCN1A P35498 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
SCN2A Q99250 1/20 0.44

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
Oxeladin SCHEMBL405413 0.88 CHRM2 (0.64) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3366202 0.85 CHRM2 (0.56) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3362813 0.84 CHRM2 (0.51) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3366922 0.81 CHRM2 (0.49) CHRM2CHRM1CHRM3MEN1KMT2A
Oxeladin SCHEMBL405412 0.80 CYP2D6 (0.62) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL22422899 0.77 SMN1; SMN2 (0.59) CHRM2CHRM1CYP3A4CYP2D6LMNA
SCHEMBL3365837 0.75 ALDH1A1 (0.54) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3361921 0.74 HTT (0.54) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL8483586 0.74 PIN1 (0.53) CHRM2CHRM1CHRM3MEN1KMT2A
Oxeladin SCHEMBL28086122 0.73 CYP1A2 (0.60) CHRM2CHRM1CHRM3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CHRM2 2456/4885CHRM1 1417/4885CHRM3 2506/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CHRM2 4838/4885CHRM1 4783/4885CHRM3 4509/4885

“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.