SCHEMBL15927872

SCHEMBL15927872

N#CC1(N)CC(COCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
NAAA Q02083 1/20 0.48
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
AGTR2 P50052 1/20 0.36
SGPL1 O95470 1/20 0.35
S1PR1 P21453 1/20 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
SCHEMBL15927873 0.82 CTSL (0.51) CTSLCTSBCTSKNAAATSHR
SCHEMBL7925960 0.76 AGTR2 (0.46) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL14409096 0.76 AGTR2 (0.46) CTSLCTSBCTSKTSHRTAAR1
SCHEMBL9394261 0.76 TSHR (0.48) CTSLCTSBCTSKNAAATSHR
SCHEMBL1613917 0.76 TSHR (0.48) CTSLCTSBCTSKNAAATSHR
SCHEMBL3046455 0.75 CTSL (0.51) CTSLCTSBCTSKNAAALMNA
SCHEMBL15927876 0.74 CTSL (0.43) CTSLCTSBCTSKNAAATSHR
SCHEMBL15927877 0.74 CTSL (0.40) CTSLCTSBCTSKNAAATSHR
SCHEMBL25631052 0.73 TAAR1 (0.47) CTSLCTSBCTSKNAAATSHR
SCHEMBL5790770 0.73 CTSL (0.48) CTSLCTSBCTSKNAAATSHR

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-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2016-02-18 US disclosed
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 US disclosed
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 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 (4 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-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 CTSL 3051/4885CTSB 4358/4885CTSK 4219/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 CTSL 3069/4885CTSB 4398/4885CTSK 4299/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 CTSL 3294/4885CTSB 4482/4885CTSK 4419/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 CTSL 3595/4885CTSB 4545/4885CTSK 4572/4885

“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.