SCHEMBL2608441

SCHEMBL2608441

CC(C)(C)c1nc2c(c3ccccc13)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.46
▸ ACHE P22303 8/20 0.46
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CACNB4 O00305 1/20 0.42
▸ CACNA1A O00555 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNG3 O60359 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ APP P05067 1/20 0.42
▸ FABP1 P07148 1/20 0.42
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL13169612 0.77 BCHE (0.50) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL24871636 0.74 USP2 (0.41) BCHEACHEALDH1A1KDM4ECYP1A2
SCHEMBL16132306 0.73 BCHE (0.59) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL8349281 0.73 BCHE (0.50) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL1654050 0.73 BCHE (0.50) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL3263193 0.73 ACHE (0.50) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL8349279 0.73 ACHE (0.54) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL8272977 0.72 BCHE (0.46) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL12336195 0.72 ALDH1A1 (0.48) BCHEACHEALDH1A1KDM4ETSHR
SCHEMBL13444589 0.72 ACHE (0.46) BCHEACHEALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 — — US disclosed
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2016-03-24 — — US disclosed
US-9233136-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-12 — — US disclosed
US-9133115-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2015-09-15 — — US disclosed
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2014-11-06 — — US disclosed
US-20140206604-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2014-07-24 — — US disclosed
US-8785378-B2 Macrocyclic peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2014-04-24 — — US disclosed
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 — — US disclosed
US-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-24 — — US disclosed
US-7906619-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2011-03-15 — — US disclosed
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-26 — — US disclosed
US-20100152103-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-06-17 — — US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 — — US disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 — — 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 (9 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-20110070168-A1 MACROCYCLIC PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, ZC3HAV1L BCHE 2646/4885ACHE 4720/4885ALDH1A1 4490/4885
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 BCHE 2535/4885ACHE 4633/4885ALDH1A1 4465/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L BCHE 3870/4885ACHE 4857/4885ALDH1A1 3885/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L BCHE 2208/4885ACHE 4580/4885ALDH1A1 4204/4885
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 BCHE 2396/4885ACHE 4697/4885ALDH1A1 4010/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 BCHE 2396/4885ACHE 4697/4885ALDH1A1 4010/4885
US-20100152103-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 BCHE 2546/4885ACHE 4736/4885ALDH1A1 3280/4885
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, O60361 BCHE 2390/4885ACHE 4558/4885ALDH1A1 4184/4885
US-20140206604-A1 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 BCHE 2546/4885ACHE 4736/4885ALDH1A1 3280/4885

“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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