SCHEMBL19239928

SCHEMBL19239928

C=C(CC1CC1)N1CCC(C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ POLB P06746 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
SCHEMBL17540515 0.89 KDM4E (0.32) POLB
SCHEMBL18161032 0.82 GAA (0.33) GAA
SCHEMBL19239929 0.79 PTPN1 (0.36) GAAPOLB
SCHEMBL26316144 0.78 DPP4 (0.32) EPHX2GAA
SCHEMBL17540498 0.78 NAMPT (0.51) EPHX2NAMPT
SCHEMBL19041083 0.76 GAA (0.33) GAA
SCHEMBL19999715 0.76 KDM5A (0.33) KDM5AGAAPOLB
SCHEMBL29325654 0.76 ALDH1A1 (0.31) —
SCHEMBL681442 0.74 CPN1 (0.33) —
SCHEMBL21431247 0.74 GAA (0.34) GAA

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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 — — US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 — — 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-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA KDM5A 2445/4885EPHX2 994/4885GAA 924/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA KDM5A 2445/4885EPHX2 994/4885GAA 924/4885

“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.

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