SCHEMBL4815342

SCHEMBL4815342

O=C([C@@H]1CCCN1)N1CCc2cc[c]cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PARP1 P09874 2/20 0.40
DPP4 P27487 7/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 2/20 0.37
CNR2 P34972 1/20 0.37
TFPI2 P48307 1/20 0.37
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ANPEP P15144 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2732735 0.82 TSHR (0.62) TSHRPARP1CNR2TFPI2POLB
SCHEMBL28740 0.82 TSHR (0.62) TSHRPARP1CNR2TFPI2POLB
SCHEMBL4808642 0.81 TSHR (0.45) TSHRCNR2TFPI2POLBBRD4
SCHEMBL4802392 0.80 TSHR (0.37) TSHR
SCHEMBL5626215 0.76 TSHR (0.36) TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3330829 0.75 POLB (0.63) TSHRCNR2POLBNPSR1SMN1; SMN2
SCHEMBL3330822 0.75 POLB (0.63) TSHRCNR2POLBNPSR1SMN1; SMN2
SCHEMBL4809935 0.75 TSHR (0.41) TSHRCNR2TFPI2POLBGAA
SCHEMBL27165450 0.75 BIRC2 (0.55) DPP4NPC1RAB9ASMN1; SMN2
SCHEMBL28212654 0.75 USP30 (0.59) TSHRPARP1DPP4JAK2TYK2

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-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885PARP1 1753/4885DPP4 286/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 TSHR 3987/4885PARP1 842/4885DPP4 186/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 TSHR 3554/4885PARP1 1426/4885DPP4 256/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885PARP1 1753/4885DPP4 286/4885

“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.