SCHEMBL5744332

SCHEMBL5744332

COC(=O)c1cccc(NCCN2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.67
▸ HTR7 P34969 1/20 0.64
▸ LMNA P02545 1/20 0.59
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CASR P41180 3/20 0.56
▸ EPHX2 P34913 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PRMT5 O14744 1/20 0.52
▸ WDR77 Q9BQA1 1/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4931426 0.89 HTR7 (0.65) ALDH1A1HTR7LMNAEPHX2MAPK1
SCHEMBL5744534 0.86 EPHX2 (0.61) ALDH1A1HTR7LMNACYP2C9CYP2C19
SCHEMBL3230823 0.85 HTR7 (0.63) ALDH1A1HTR7CYP2C9CYP2C19EPHX2
SCHEMBL5741437 0.85 MAPK1 (0.59) ALDH1A1LMNAEPHX2MAPK1KDM4E
SCHEMBL40273 0.80 CASR (0.69) ALDH1A1LMNACASRMAPK1
SCHEMBL23286940 0.79 ALDH1A1 (0.54) ALDH1A1LMNACYP2C9CYP2C19MAPK1
SCHEMBL20509933 0.79 GAA (0.48) ALDH1A1LMNACYP2C9CYP2C19EPHX2
SCHEMBL385247 0.78 KDM4E (0.62) ALDH1A1CYP2C9CYP2C19EPHX2L3MBTL1
SCHEMBL19623614 0.78 MEN1 (0.52) HTR7LMNACYP2C19L3MBTL1KDM4E
SCHEMBL13164567 0.78 RECQL (0.67) LMNACYP2C9CYP2C19KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 — — EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 — — US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 — — US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 — — EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 — — US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 — — WO 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 (3 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ ALDH1A1 3348/4885HTR7 384/4885LMNA 1883/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS ALDH1A1 3475/4885HTR7 250/4885LMNA 3195/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK ALDH1A1 3118/4885HTR7 1310/4885LMNA 3004/4885

“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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