SCHEMBL18745447

SCHEMBL18745447

CC(C)(C)N1CCC(CC(C)(C)N2CCOCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL19050582 0.92 POLB (0.33) POLBALDH1A1PKML3MBTL1GAA
SCHEMBL20089204 0.90 POLB (0.32) POLBALDH1A1GAA
SCHEMBL22955339 0.87 NCF1 (0.41) POLBALDH1A1PKML3MBTL1GAA
SCHEMBL18634444 0.84
SCHEMBL18745413 0.83 NCF1 (0.30)
SCHEMBL21743370 0.81 HRH3 (0.37) POLBALDH1A1PKML3MBTL1GAA
SCHEMBL20375137 0.81 POLB (0.33) POLBALDH1A1PKML3MBTL1GAA
SCHEMBL18737371 0.80 POLB (0.30) POLB
SCHEMBL22477850 0.80 NCF1 (0.41) HRH3
SCHEMBL21466366 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230100559-A1 Compositions and Methods for Treatment of Disease by Manipulation of Serine Metabolism THE TRUSTEES OF PRINCETON UNIVERSITY 2023-03-30 US disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-20210171490-A1 RED-SHIFTED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE 2021-06-10 US disclosed
US-10934305-B2 SHMT inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-03-02 US disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-20200239488-A1 SHMT Inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY 2020-07-30 US disclosed
US-10646475-B2 SHMT inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-05-12 US disclosed
US-20180117010-A1 SHMT Inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY 2018-05-03 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20180072751-A1 SHMT Inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY 2018-03-15 US disclosed
US-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-03-15 US disclosed
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II MEDIFRON DBT INC. (KR) 2017-09-07 US disclosed
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 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 (13 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-20180071232-A1 COMPOSITIONS AND METHODS FOR TREATING RESPIRATORY INJURY OR DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, C1S POLB 1125/4885ALDH1A1 1124/4885PKM 1625/4885
US-20180072751-A1 SHMT Inhibitors SHMT1, SHMT2, BHMT POLB 984/4885ALDH1A1 110/4885PKM 1744/4885
US-10934305-B2 SHMT inhibitors SHMT1, SHMT2, BHMT POLB 984/4885ALDH1A1 110/4885PKM 1744/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 POLB 4085/4885ALDH1A1 4030/4885PKM 2119/4885
US-20230100559-A1 Compositions and Methods for Treatment of Disease by Manipulation of Serine Metabolism SHMT2, PC, ME2 POLB 1223/4885ALDH1A1 575/4885PKM 208/4885
US-20200239488-A1 SHMT Inhibitors SHMT1, SHMT2, BHMT POLB 981/4885ALDH1A1 117/4885PKM 540/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 POLB 1045/4885ALDH1A1 2372/4885PKM 3407/4885
US-20210171490-A1 RED-SHIFTED FLUOROPHORES TFEB, DDX21, CDC73 POLB 3161/4885ALDH1A1 1847/4885PKM 2882/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB POLB 2949/4885ALDH1A1 1037/4885PKM 1327/4885
US-20170253586-A1 Substituted Oxazole- and Thiazole-Based Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands II TRPV1, TRPV2, GPR17 POLB 4158/4885ALDH1A1 1621/4885PKM 1083/4885
US-20180117010-A1 SHMT Inhibitors SHMT1, SHMT2, BHMT POLB 1475/4885ALDH1A1 216/4885PKM 1215/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 POLB 1045/4885ALDH1A1 2372/4885PKM 3407/4885
US-10646475-B2 SHMT inhibitors SHMT1, SHMT2, BHMT POLB 1475/4885ALDH1A1 216/4885PKM 1215/4885

“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.