SCHEMBL9977211

SCHEMBL9977211

CC[C@H](C)N1CCC[C@@H](N)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.46
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ACE P12821 2/20 0.35

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
SCHEMBL14275834 0.82 DPP4 (0.51) DPP4TSHRCYP3A4TDP1MAPT
SCHEMBL10264697 0.82 DPP4 (0.51) DPP4TSHRCYP3A4TDP1MAPT
SCHEMBL9980203 0.82 DPP4 (0.40) DPP4TSHRCYP3A4TDP1MAPT
Hydrochloric Acid SCHEMBL319479 0.80 DPP4 (0.50) DPP4TSHRCYP3A4TDP1MAPT
Hydrochloric Acid SCHEMBL15124225 0.80 DPP4 (0.50) DPP4TSHRCYP3A4TDP1MAPT
SCHEMBL4654486 0.76 OPRM1 (0.39) DPP4TSHRCYP3A4TDP1MAPT
SCHEMBL2706210 0.75 DPP4 (0.43) DPP4TSHRCYP3A4TDP1MAPT
SCHEMBL15512066 0.75 DPP4 (0.43) DPP4TSHRCYP3A4TDP1MAPT
SCHEMBL203546 0.75 DPP4 (0.43) DPP4TSHRCYP3A4TDP1MAPT
Hydrochloric Acid SCHEMBL15123902 0.75 DPP4 (0.49) DPP4TSHRCYP3A4TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 DPP4 77/4885TSHR 4853/4885CYP3A4 1770/4885

“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.