SCHEMBL2608433

SCHEMBL2608433

CC(=O)c1cccc(N2CCCCC2)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
PTPN1 P18031 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ATM Q13315 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
KCNQ2 O43526 1/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2612163 0.80 NPC1 (0.54) NPC1PTPN1L3MBTL1ATMMAPT
Hydrochloric Acid SCHEMBL9851652 0.79 NPC1 (0.67) NPC1PTPN1L3MBTL1ATMMAPT
SCHEMBL15478265 0.79 NPC1 (0.66) NPC1PTPN1L3MBTL1ATMMAPT
SCHEMBL2608430 0.76 HPGD (0.51) MAPTALDH1A1TSHRCYP2C19MEN1
SCHEMBL15372278 0.73 NPC1 (0.63) NPC1PTPN1L3MBTL1ATMMAPT
SCHEMBL19564488 0.71 NPC1 (0.60) NPC1PTPN1L3MBTL1ATMMAPT
SCHEMBL12806547 0.70 GAA (0.48) MAPTALDH1A1GAAUSP2CYP2C19
SCHEMBL6105727 0.70 NPC1 (0.54) NPC1PTPN1L3MBTL1ATMMAPT
SCHEMBL5847089 0.70 GAA (0.58) NPC1PTPN1L3MBTL1ATMMAPT
SCHEMBL13773187 0.70 THRB (0.48) MAPTALDH1A1TSHRGAAHTT

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 14 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-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-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-26 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 (7 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 NPC1 350/4885PTPN1 3602/4885L3MBTL1 805/4885
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 NPC1 360/4885PTPN1 3380/4885L3MBTL1 1628/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L NPC1 398/4885PTPN1 3919/4885L3MBTL1 2124/4885
US-20140113890-A1 NEW 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L NPC1 781/4885PTPN1 2737/4885L3MBTL1 785/4885
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 NPC1 534/4885PTPN1 3871/4885L3MBTL1 847/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 NPC1 534/4885PTPN1 3871/4885L3MBTL1 847/4885
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, O60361 NPC1 1064/4885PTPN1 2875/4885L3MBTL1 742/4885

“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.