SCHEMBL21112306

SCHEMBL21112306

N[C@H](CO)c1ccc(Cl)c(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
NOTUM Q6P988 1/20 0.39
MAPK14 Q16539 1/20 0.38
ALB P02768 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
SHH Q15465 1/20 0.38
USP28 Q96RU2 1/20 0.38
SLC29A1 Q99808 1/20 0.38
SMO Q99835 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CBFB Q13951 1/20 0.37

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
SCHEMBL21112308 1.00 CCR1 (0.41) CCR1CCR5CCR8NOTUMMAPK14
SCHEMBL30557217 1.00 CCR1 (0.41) CCR1CCR5CCR8NOTUMMAPK14
Hydrochloric Acid SCHEMBL21112304 0.99 CCR1 (0.40) CCR1CCR5CCR8NOTUMMAPK14
Hydrochloric Acid SCHEMBL20899690 0.99 CCR1 (0.40) CCR1CCR5CCR8NOTUMMAPK14
Hydrochloric Acid SCHEMBL21112192 0.83 S1PR3 (0.33) SLC6A2HTR2BSLC6A3PDE4DMAPK1
Hydrochloric Acid SCHEMBL21112191 0.83 S1PR3 (0.33) SLC6A2HTR2BSLC6A3PDE4DMAPK1
SCHEMBL20899970 0.81 NOTUM (0.41) CCR1CCR5CCR8NOTUMMAPK14
Hydrochloric Acid SCHEMBL21112837 0.80 DPP4 (0.40) SLC6A2SLC6A3SMOSMN1; SMN2
Hydrochloric Acid SCHEMBL20899766 0.80 DPP4 (0.40) SLC6A2SLC6A3SMOSMN1; SMN2
SCHEMBL21112316 0.77 SMO (0.43) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 CN disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN CCR1 475/4885CCR5 119/4885CCR8 1924/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CCR1 475/4885CCR5 119/4885CCR8 1924/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CCR1 475/4885CCR5 119/4885CCR8 1924/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CCR1 833/4885CCR5 146/4885CCR8 1756/4885

“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.