SCHEMBL522388

SCHEMBL522388

CC1(N2CCOCC2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PIK3R1 P27986 3/20 0.35
PIK3CA P42336 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
MGLL Q99685 1/20 0.32
PIK3CD O00329 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
Hydrochloric Acid SCHEMBL2338551 0.98 ALDH1A1 (0.35) ALDH1A1PIK3R1PIK3CAMEN1KMT2A
SCHEMBL14079963 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMGLLPIK3CD
SCHEMBL3518927 0.83 KDM4E (0.35) PIK3R1PIK3CAMEN1KMT2AKDM4E
SCHEMBL14080010 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMGLLPIK3CD
SCHEMBL1515242 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3629869 0.79 CCR5 (0.33)
SCHEMBL9275287 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMGLLPIK3CD
SCHEMBL3844090 0.78 KMT2A (0.33) KMT2AKDM4E
SCHEMBL23187354 0.77 MGLL (0.35) ALDH1A1PIK3R1PIK3CAGAAMGLL
SCHEMBL3652178 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM4EGAA

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4027995-B1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS SATURN INC (US) 2026-05-27 EP disclosed
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 US disclosed
EP-3321268-B1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2025-06-04 EP disclosed
CN-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 CN disclosed
US-12215105-B2 HPK1 antagonists and uses thereof Nimbus Saturn, Inc. (US) 2025-02-04 US disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 CN disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-7582625-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-7582625-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
CN-101273021-A Selected CGRP antagonists, methods for the production thereof and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-09-24 CN disclosed
EP-1931647-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-18 EP disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
WO-2007036532-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
EP-1770086-A1 Selected CGRP antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 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 (5 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-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents GPR119, HTR1D, TRPV1 ALDH1A1 1431/4885PIK3R1 4282/4885PIK3CA 2273/4885
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885PIK3R1 721/4885PIK3CA 2780/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ALDH1A1 4740/4885PIK3R1 2941/4885PIK3CA 821/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885PIK3R1 721/4885PIK3CA 2780/4885
US-12215105-B2 HPK1 antagonists and uses thereof PDXK, HIPK1, PCK1 ALDH1A1 4740/4885PIK3R1 2941/4885PIK3CA 821/4885

“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.