SCHEMBL21322291

SCHEMBL21322291

CC(C)CN[C@H]1C[C@@H](CO)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
EPHX1 P07099 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
APLNR P35414 1/20 0.31
GLB1 P16278 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21290455 1.00 HTT (0.37) HTTEPHX2CCNT1CDK9EPHX1
SCHEMBL21290459 0.85 HTT (0.34) HTTEPHX1KDM4E
SCHEMBL19735092 0.81 ALDH1A1 (0.40) EPHX2CCNT1CDK9GLB1CYP2C19
SCHEMBL24972574 0.79 HTT (0.31) HTT
SCHEMBL26313845 0.79 HTT (0.31) HTT
SCHEMBL25769714 0.79 HTT (0.31) HTT
SCHEMBL3726725 0.76
SCHEMBL27282439 0.76 GLB1 (0.36) HTTEPHX1MEN1KMT2AKDM4E
SCHEMBL23711913 0.76 GLB1 (0.36) HTTEPHX1MEN1KMT2AKDM4E
SCHEMBL27281270 0.76 GLB1 (0.36) HTTEPHX1MEN1KMT2AKDM4E

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 US disclosed
US-20210053946-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-02-25 US disclosed
US-10710986-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-14 US disclosed
US-20190270727-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2019-09-05 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 HTT 4390/4885EPHX2 3652/4885CCNT1 498/4885
US-20210053946-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 HTT 4390/4885EPHX2 3652/4885CCNT1 498/4885
US-10710986-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 HTT 4390/4885EPHX2 3652/4885CCNT1 498/4885
US-20190270727-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 HTT 4390/4885EPHX2 3652/4885CCNT1 498/4885

“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.