SCHEMBL17540494

SCHEMBL17540494

CCC(C)C(O)C(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.45
DPP8 Q6V1X1 7/20 0.45
DPP7 Q9UHL4 7/20 0.45
DPP9 Q86TI2 5/20 0.45
EPHX2 P34913 3/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
FAP Q12884 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
SCHEMBL17546274 0.86 ALDH1A1 (0.56) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL17540520 0.84 DPP4 (0.46) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL17540490 0.84 MEN1 (0.43) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL22874689 0.84 MEN1 (0.43) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL15247214 0.84 MEN1 (0.43) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL15247297 0.82 EPHX2 (0.42) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL22874688 0.82 EPHX2 (0.42) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL15247298 0.82 EPHX2 (0.42) DPP4DPP8DPP7DPP9EPHX2
SCHEMBL22874720 0.80 EPHX2 (0.58) DPP4DPP8DPP9EPHX2MEN1
SCHEMBL15247299 0.80 CYP2C19 (0.49) DPP4DPP8DPP7DPP9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
EP-3027603-B1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2018-07-18 EP 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-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885DPP8 715/4885DPP7 358/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA DPP4 946/4885DPP8 715/4885DPP7 358/4885

“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.