SCHEMBL17540515

SCHEMBL17540515

C=C(CC1CCOCC1)N1CCC(C(C)C)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 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
SCHEMBL19239928 0.89 KDM5A (0.32) POLB
SCHEMBL17540513 0.81 NAMPT (0.42) TLR9TLR8TLR7ALDH1A1POLB
SCHEMBL26287965 0.76 TLR9 (0.38) TLR9TLR8TLR7ALDH1A1POLB
SCHEMBL18161032 0.76 GAA (0.33) ALDH1A1
SCHEMBL19239929 0.73 PTPN1 (0.36) KDM4EALDH1A1POLB
SCHEMBL26316144 0.71 DPP4 (0.32) —
SCHEMBL19999715 0.70 KDM5A (0.33) ALDH1A1POLB
SCHEMBL19041083 0.70 GAA (0.33) ALDH1A1
SCHEMBL25674532 0.70 KDM5A (0.32) —
SCHEMBL17540510 0.69 POLB (0.48) ALDH1A1CNR2POLBHPGD

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-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — US disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 — — 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-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA KDM4E 1807/4885TLR9 1475/4885TLR8 966/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA KDM4E 1807/4885TLR9 1475/4885TLR8 966/4885

“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.

Send feedback