SCHEMBL3858192

SCHEMBL3858192

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
POLB P06746 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL3854164 0.86 TSHR (0.43) TSHRMEN1KMT2AATMALDH1A1
SCHEMBL3860939 0.83 CRHBP (0.40) MEN1KMT2AHPGDTDP1
SCHEMBL3853713 0.80 ALDH1A1 (0.41) TSHRMEN1KMT2AATMALDH1A1
SCHEMBL7296075 0.78 TSHR (0.59) TSHRMEN1KMT2AATMALDH1A1
SCHEMBL3853717 0.76 ALDH1A1 (0.41) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL2853654 0.74 TP53 (0.49) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL27873479 0.74 TSHR (0.49) TSHRMEN1KMT2AATMALDH1A1
SCHEMBL16637855 0.71 NOTUM (0.43) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13280836 0.70 TSHR (0.51) TSHRMEN1KMT2AATMALDH1A1
SCHEMBL10106410 0.69 PTPN1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA

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 TSHR 4644/4885MEN1 1958/4885KMT2A 619/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 TSHR 4560/4885MEN1 2064/4885KMT2A 2934/4885

“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.