SCHEMBL18482091

SCHEMBL18482091

CCc1nc(C(C)C)nc(C(C)C)n1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL24245886 0.97 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL14123523 0.88 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL27445264 0.86 GAA (0.31)
SCHEMBL27434108 0.82 NPC1 (0.31)
Hydrazine SCHEMBL4470399 0.82
Hydrazine SCHEMBL28654430 0.79 HSP90AB1 (0.31)
SCHEMBL11802553 0.77 HRH4 (0.34)
SCHEMBL17467255 0.76 HRH4 (0.36)
SCHEMBL13333647 0.76
SCHEMBL2614743 0.73 HRH4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
US-10967071-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2021-04-06 US disclosed
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2021-03-18 US disclosed
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 US disclosed
US-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-10 US disclosed
WO-2020160222-A2 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-08-06 WO disclosed
US-20170040552-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-02-09 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 (7 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-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP ALDH1A1 4871/4885TP53 745/4885CYP3A4 4418/4885
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR ALDH1A1 4676/4885TP53 280/4885CYP3A4 4319/4885
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF VIP, NGLY1, GRPR ALDH1A1 4676/4885TP53 280/4885CYP3A4 4319/4885
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA ALDH1A1 98/4885TP53 1313/4885CYP3A4 1015/4885
US-10967071-B2 Drug-conjugates, conjugation methods, and uses thereof PAICS, CES2, DNPEP ALDH1A1 160/4885TP53 2257/4885CYP3A4 406/4885
US-20170040552-A1 Organic Electroluminescent Materials and Devices OCIAD2, OCIAD1, OSBP ALDH1A1 2050/4885TP53 3138/4885CYP3A4 2683/4885
US-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF PRRC2A, GRPR, QRFPR ALDH1A1 3405/4885TP53 2683/4885CYP3A4 4780/4885

“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.