SCHEMBL3860939

SCHEMBL3860939

O=C(O)c1cc(Br)cc(N(Cc2ccccc2)Cc2ccccc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
HCAR3 P49019 1/20 0.40
HPGD P15428 1/20 0.38
TSPO P30536 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
PTPN1 P18031 1/20 0.37
NR3C1 P04150 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCC1 P33527 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3858192 0.83 TSHR (0.43) HPGDTDP1MEN1KMT2A
SCHEMBL6118873 0.73 PTPN1 (0.50) HCAR3HPGDTSPOPTPN1NR3C1
SCHEMBL1907350 0.72 GBA1 (0.41) CRHBPCRHR2TMEM97SIGMAR1NR3C1
SCHEMBL16098563 0.72 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1HPGD
SCHEMBL28813822 0.71 CRHBP (0.53) CRHBPCRHR2HCAR3HPGDBCL2L1
SCHEMBL3854164 0.70 TSHR (0.43) HPGDNR3C1TDP1MEN1KMT2A
SCHEMBL21963902 0.70 TSPO (0.49) CRHBPCRHR2HCAR3TSPOBCL2L1
SCHEMBL15227812 0.69 MEN1 (0.55) CRHBPCRHR2HCAR3HPGDTSPO
SCHEMBL12930943 0.69 TMEM97 (0.42) TMEM97SIGMAR1NR3C1MEN1KMT2A
SCHEMBL6756372 0.68 GBA1 (0.43) CRHBPCRHR2TMEM97SIGMAR1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 US disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP CRHBP 3896/4885CRHR2 4158/4885AKR1C3 857/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 CRHBP 2164/4885CRHR2 2671/4885AKR1C3 1749/4885

“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.