SCHEMBL4804622

SCHEMBL4804622

CCC(=O)N1CCc2cc[c]cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NOTUM Q6P988 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL4859975 0.86 TSHR (0.47) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4802212 0.85 TSHR (0.46) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4810543 0.84 LMNA (0.44) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4810771 0.84 TSHR (0.43) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL2224344 0.83 NOTUM (0.60) ALDH1A1KMT2ANOTUMSMN1; SMN2
SCHEMBL4811482 0.82 TSHR (0.44) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4813456 0.82 LMNA (0.42) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL5626219 0.80 ALDH1A1 (0.52) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL4812759 0.80 ALDH1A1 (0.70) TSHRALDH1A1POLBCYP11B1CYP11B2
SCHEMBL4812701 0.80 KMT2A (0.46) TSHRALDH1A1POLBMEN1KMT2A

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 2267/4885ALDH1A1 2580/4885POLB 4675/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 TSHR 3987/4885ALDH1A1 1913/4885POLB 4499/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 TSHR 3554/4885ALDH1A1 1335/4885POLB 4755/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 TSHR 2267/4885ALDH1A1 2580/4885POLB 4675/4885

“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.

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