SCHEMBL3365999

SCHEMBL3365999

CCC(C)N(C(=O)c1ccc(Cl)c(Cl)c1)C(C)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ HPGD P15428 1/20 0.49
▸ SLC6A4 P31645 3/20 0.48
▸ SLC6A3 Q01959 3/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ KMO O15229 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL11782487 0.94 TSHR (0.50) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11779998 0.93 TSHR (0.50) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11782564 0.88 SLC6A2 (0.47) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11783170 0.88 TSHR (0.54) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11783594 0.86 HPGD (0.43) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11784020 0.86 HSP90AA1 (0.40) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11782048 0.84 TSHR (0.54) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11782049 0.83 HSP90AA1 (0.38) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11785578 0.82 SLC6A4 (0.50) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11785050 0.82 TSHR (0.55) TSHRHPGDSLC6A4SLC6A3SLC6A2

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-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
US-3982931-A N,N-di-sec.butyl-benzamide herbicides MONTEDISON S.P.A. (IT) 1976-09-28 — — US disclosed
US-3941783-A Process for the production of N,N-disubstituted carboxylic amides ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) 1976-03-02 — — 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 (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 TSHR 1346/4885HPGD 3754/4885SLC6A4 34/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 TSHR 4634/4885HPGD 1817/4885SLC6A4 4705/4885

“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.

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