SCHEMBL3366745

SCHEMBL3366745

NC1CCCCC1NC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 7/20 0.71
TAS1R2 Q8TE23 3/20 0.71
TAS1R1 Q7RTX1 6/20 0.55
SSTR3 P32745 6/20 0.54
F10 P00742 1/20 0.54
HDAC4 P56524 1/20 0.47
CHRNA7 P36544 2/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL9699898 1.00 TAS1R3 (0.71) TAS1R3TAS1R2TAS1R1SSTR3F10
Hydrochloric Acid SCHEMBL9700031 0.99 TAS1R3 (0.69) TAS1R3TAS1R2TAS1R1SSTR3F10
Hydrochloric Acid SCHEMBL9700027 0.99 TAS1R3 (0.69) TAS1R3TAS1R2TAS1R1SSTR3F10
SCHEMBL3366465 0.83 TAS1R3 (0.75) TAS1R3TAS1R2TAS1R1SSTR3F10
SCHEMBL700604 0.83 TAS1R3 (1.00) TAS1R3TAS1R2TAS1R1
Hydrochloric Acid SCHEMBL9699912 0.82 F10 (0.54) TAS1R3TAS1R2TAS1R1F10HDAC4
Hydrochloric Acid SCHEMBL9699908 0.82 F10 (0.54) TAS1R3TAS1R2TAS1R1F10HDAC4
Hydrochloric Acid SCHEMBL9701193 0.82 TAS1R3 (0.73) TAS1R3TAS1R2TAS1R1SSTR3F10
Hydrochloric Acid SCHEMBL9699958 0.82 TAS1R3 (0.73) TAS1R3TAS1R2TAS1R1SSTR3F10
SCHEMBL9698870 0.80 SIGMAR1 (0.66) TAS1R3TAS1R2TAS1R1SSTR3F10

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 4 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
WO-1992004017-A1 CIS-N-(2-AMINOCYCLOHEXYL)BENZAMIDE AND THEIR ENANTIOMERS AS ANTICONVULSANTS THE UPJOHN COMPANY (US) 1992-03-19 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 TAS1R3 1195/4885TAS1R2 1660/4885TAS1R1 1292/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 TAS1R3 3512/4885TAS1R2 4158/4885TAS1R1 3764/4885

“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.