SCHEMBL12604444

SCHEMBL12604444

O=C[C@@H]1CC(c2ccccc2)CN1C=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SRD5A1 P18405 1/20 0.36
▸ GRIN2B Q13224 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL9980195 0.79 BRD4 (0.38) BRD4HPGDTSHRSRD5A1GRIN2B
SCHEMBL19995530 0.78 AKR1C3 (0.41) BRD4HPGDGRIN2BGAAMAPT
SCHEMBL28046374 0.76 HPGD (0.48) HPGDTSHRMAPTKMT2AMEN1
SCHEMBL27607134 0.75 HPGD (0.35) BRD4HPGDTSHRSRD5A1GRIN2B
SCHEMBL20031256 0.71 BRD4 (0.46) BRD4HPGDTSHRSRD5A1GAA
SCHEMBL27275008 0.71 HCRTR2 (0.47) BRD4TSHRGAAMAPTKMT2A
SCHEMBL28929394 0.70 TRPV6 (0.45) HPGDTSHRKMT2AMEN1ALDH1A1
SCHEMBL13337603 0.70 CTSL (0.47) KMT2AMEN1
SCHEMBL20005947 0.69 HTRA1 (0.50) KMT2AMEN1
SCHEMBL25692660 0.68 MMP2 (0.47) HPGDKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 — — US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 — — 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 (2 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP BRD4 1664/4885HPGD 2426/4885TSHR 4691/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP BRD4 1664/4885HPGD 2426/4885TSHR 4691/4885

“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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