SCHEMBL17540508

SCHEMBL17540508

CC(C)C1CCN(C(=O)CCC(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
EPHX2 P34913 1/20 0.44
GNAI3 P08754 2/20 0.43
GNAO1 P09471 2/20 0.43
GNAI1 P63096 2/20 0.43
HSD11B1 P28845 1/20 0.41

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
SCHEMBL22332287 0.85 GNAI3 (0.43) NPC1GNAI3GNAO1GNAI1HSD11B1
SCHEMBL22874701 0.83 HSD11B1 (0.54) NPC1GNAI3GNAO1GNAI1HSD11B1
SCHEMBL19249296 0.83 EPHX2 (0.42) NPC1EPHX2
SCHEMBL22874747 0.82 NPC1 (0.53) NPC1EPHX2GNAI3GNAO1GNAI1
SCHEMBL17546273 0.81 NPC1 (0.65) NPC1EPHX2
SCHEMBL7919921 0.81 NPC1 (0.48) NPC1EPHX2GNAI3GNAO1GNAI1
SCHEMBL22874702 0.81 HSD11B1 (0.59) GNAI3GNAO1GNAI1HSD11B1
SCHEMBL22874700 0.81 HSD11B1 (0.63) GNAI3GNAO1GNAI1HSD11B1
SCHEMBL22874752 0.80 NPC1 (0.44) NPC1GNAI3GNAO1GNAI1
SCHEMBL14147220 0.80 NPC1 (0.47) NPC1GNAI3GNAO1GNAI1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753397-B2 Cereblon binders for the degradation of ikaros C4 THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
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
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 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 (4 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 NPC1 253/4885EPHX2 994/4885GNAI3 346/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPC1 253/4885EPHX2 994/4885GNAI3 346/4885
US-11753397-B2 Cereblon binders for the degradation of ikaros CRBN, IKZF1, IKZF3 NPC1 2155/4885EPHX2 4282/4885GNAI3 1551/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA NPC1 253/4885EPHX2 994/4885GNAI3 346/4885

“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.