SCHEMBL1420780

SCHEMBL1420780

O=C(O)N1CCC(I)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 4/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27786229 0.97 ACHE (0.31) ACHELMNAALDH1A1NPC1TSHR
SCHEMBL23779832 0.91 HPGD (0.35) LMNAALDH1A1TSHRHPGD
SCHEMBL14938745 0.85
SCHEMBL23355925 0.85
SCHEMBL1936310 0.78 HSD11B1 (0.37) ACHEALDH1A1NPC1TSHRHPGD
SCHEMBL2738424 0.77 CYP1A2 (0.48) ALDH1A1
SCHEMBL8309136 0.76 HSD11B1 (0.36) ACHELMNAALDH1A1NPC1
SCHEMBL1934485 0.76 DPP4 (0.37) ACHELMNAALDH1A1NPC1TSHR
SCHEMBL146591 0.76 MAPT (0.37) LMNAALDH1A1TSHRHPGDMEN1
SCHEMBL169000 0.76 GRM5 (0.42) ACHELMNANPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119654321-A PI3K alpha inhibitors 突触活化疗法股份有限公司 2025-03-18 CN disclosed
EP-4313991-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS Nuvation Bio Inc. (US) 2024-02-07 EP disclosed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-12-05 US disclosed
EP-4157837-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2023-04-05 EP disclosed
CN-115667250-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-01-31 CN disclosed
US-11566020-B1 Pyridazinones as PARP7 inhibitors RIBON THERAPEUTICS, INC. (US) 2023-01-31 US disclosed
WO-2022204184-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC. (US) 2022-09-29 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-10179792-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
EP-1456200-A1 LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2004-09-15 EP disclosed
US-20040132710-A1 Lactams as tachkinin antagonists PFIZER INC. 2004-07-08 US disclosed
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 WO disclosed
WO-2003051868-A1 LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 2003-06-26 WO disclosed
US-6492355-B1 Adamantane derivatives ASTRAZENECA AB (SE) 2002-12-10 US disclosed
US-6486171-B2 USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20020161228-A1 Piperidine compounds ADIR ET COMPAGNIE 2002-10-31 US disclosed
US-6399616-B1 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION LES LABORATOIRES SERVIER (FR) 2002-06-04 US disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 EP 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-10179792-B2 Hepatitis B antiviral agents HAVCR2, PYGL, SLC10A1 ACHE 4525/4885LMNA 453/4885ALDH1A1 3634/4885
US-20040132710-A1 Lactams as tachkinin antagonists PROKR1, TACR2, TACR1 ACHE 2333/4885LMNA 3578/4885ALDH1A1 2593/4885
US-11834458-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 ACHE 4861/4885LMNA 2220/4885ALDH1A1 3398/4885
US-20020161228-A1 Piperidine compounds OTC, NPPA, AQP4 ACHE 1313/4885LMNA 1609/4885ALDH1A1 673/4885
US-11566020-B1 Pyridazinones as PARP7 inhibitors PARP2, PARP1, PARP4 ACHE 4733/4885LMNA 607/4885ALDH1A1 1033/4885

“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.