SCHEMBL5433548

SCHEMBL5433548

COCCOCC(CC(=O)Nc1ccc(Cl)cn1)NC(=O)c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.56
TACR3 P29371 1/20 0.45
MAPT P10636 1/20 0.43
F2 P00734 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5440396 0.95 F10 (0.58) F10TACR3MAPTF2ALDH1A1
SCHEMBL5431479 0.92 F10 (0.62) F10TACR3MAPTF2ALDH1A1
SCHEMBL5431679 0.90 F10 (0.51) F10TACR3MAPTALDH1A1
SCHEMBL5446696 0.88 F10 (0.51) F10TACR3MAPTALDH1A1FPR1
SCHEMBL5440627 0.88 F10 (0.53) F10MAPTF2ALDH1A1HPGD
SCHEMBL5432971 0.88 F10 (0.50) F10TACR3MAPTALDH1A1
SCHEMBL5432974 0.88 F10 (0.50) F10TACR3MAPTF2ALDH1A1
SCHEMBL5433072 0.86 F10 (0.58) F10TACR3MAPTF2ALDH1A1
SCHEMBL5440568 0.86 F10 (0.60) F10TACR3MAPTALDH1A1CYP1A2
SCHEMBL5485116 0.86 F10 (0.60) F10TACR3MAPTALDH1A1CYP1A2

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
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed
US-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US disclosed
CN-1906169-A Therapeutic agents I ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 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 (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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885TACR3 2543/4885MAPT 4212/4885
US-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 F10 2780/4885TACR3 1654/4885MAPT 35/4885

“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.