SCHEMBL2986409

SCHEMBL2986409

C=CCCCc1ccc(C(F)(F)F)cc1CN

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.38
IDO1 P14902 2/20 0.36
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
MAOB P27338 4/20 0.32
AOC3 Q16853 2/20 0.31
DAO P14920 3/20 0.30

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
SCHEMBL2968712 0.78 TLR8 (0.34) TLR8IDO1DAO
SCHEMBL2970934 0.76 TAAR1 (0.41) TLR8TAAR1
SCHEMBL14893123 0.76 USP2 (0.33) TLR8IDO1DAO
SCHEMBL18934899 0.72 MPO (0.43) IDO1MPOTPOTAAR1DAO
SCHEMBL8804078 0.72 TAAR1 (0.52) IDO1TAAR1MAOBDAO
SCHEMBL20906486 0.69 IDO1 (0.38) IDO1DAO
SCHEMBL24825592 0.68 IDO1 (0.42) IDO1MPOTPOTAAR1MAOB
SCHEMBL30184112 0.68 IDO1 (0.42) IDO1MPOTPOTAAR1MAOB
SCHEMBL14222747 0.68 IDO1 (0.36) IDO1DAO
SCHEMBL964552 0.68 DAO (0.46) IDO1TAAR1DAO

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-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772221-B2 Diaminopropane derived macrocycles as inhibitors of β amyloid production BRISTOL-MEYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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 (1 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 TLR8 4878/4885IDO1 3765/4885MPO 640/4885

“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.