SCHEMBL3361640

SCHEMBL3361640

CC1NCC1(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.49
SLC6A2 P23975 4/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA4 P43681 4/20 0.49
SLC6A3 Q01959 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
CHRNA1 P02708 3/20 0.41
CHRNG P07510 3/20 0.41
CHRNB1 P11230 3/20 0.41
CHRND Q07001 3/20 0.41
OPRL1 P41146 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.41
HTR2A P28223 1/20 0.38
CRHBP P24387 1/20 0.37

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
SCHEMBL2640739 0.74 MAPT (0.59) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL3552547 0.69 SLC6A2 (0.42) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL21371752 0.69 SLC6A2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5866514 0.68 CHRNB2 (0.45) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL2599510 0.67 SLC6A2 (0.55) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL28028145 0.67 CHRNB2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL4603160 0.67 OPRM1 (0.47) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL11768776 0.67 OPRM1 (0.47) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10926006 0.66 CHRNB2 (1.00) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL18038830 0.66 OPRM1 (0.46) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CHRNB2 2125/4885SLC6A2 71/4885CHRNB4 1323/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CHRNB2 4850/4885SLC6A2 4657/4885CHRNB4 4808/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 CHRNB2 4815/4885SLC6A2 4758/4885CHRNB4 4763/4885

“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.