SCHEMBL1619040

SCHEMBL1619040

CC(C)C[C@H](N)CN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.41
ERAP2 Q6P179 2/20 0.41
ERAP1 Q9NZ08 1/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CD O00329 1/20 0.32

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
SCHEMBL1752333 1.00 ANPEP (0.41) ANPEPERAP2ERAP1TSHRCYP3A4
SCHEMBL171329 0.98 MEN1 (0.43) ANPEPERAP2ERAP1TSHRCYP3A4
SCHEMBL1619039 0.83 ANPEP (0.38) ANPEPERAP2ERAP1TSHRCYP3A4
SCHEMBL8558131 0.81 USP2 (0.47) ANPEPERAP2ERAP1TSHRCYP3A4
SCHEMBL8558133 0.81 USP2 (0.47) ANPEPERAP2ERAP1TSHRCYP3A4
SCHEMBL7360096 0.81 ANPEP (0.37) ANPEPERAP2ERAP1TSHRCYP3A4
SCHEMBL1674470 0.78 MEN1 (0.55) ANPEPERAP2TSHRCYP2D6MEN1
SCHEMBL31391687 0.76 KMT2A (0.42) ANPEPERAP2CYP2D6MEN1KMT2A
SCHEMBL12381528 0.75
SCHEMBL12714698 0.75

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
EP-2094673-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2015-04-08 EP disclosed
EP-2094673-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2015-04-08 EP disclosed
EP-2064192-B1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2014-05-14 EP disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-8609706-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY DISCOVERY, INC. (US) 2013-12-17 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
US-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
WO-2008060569-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-05-22 WO disclosed
WO-2008060569-A1 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-05-22 WO disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2007-07-12 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 (5 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-20080306127-A9 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 ANPEP 3902/4885ERAP2 2566/4885ERAP1 1890/4885
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 ANPEP 3961/4885ERAP2 4067/4885ERAP1 3350/4885
US-20070161690-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 ANPEP 3902/4885ERAP2 2566/4885ERAP1 1890/4885
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 ANPEP 3834/4885ERAP2 2752/4885ERAP1 2316/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA ANPEP 2469/4885ERAP2 4731/4885ERAP1 4859/4885

“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.