SCHEMBL3532080

SCHEMBL3532080

O=CN[C@@H]1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
EPHX1 P07099 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.51
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
TAS1R2 Q8TE23 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL6001031 1.00 HTT (0.55) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL3532081 1.00 HTT (0.55) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL24106055 0.95 EPHX1 (0.51) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL1600934 0.89 PDPK1 (0.59) HTTALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL2461645 0.89 PDPK1 (0.59) HTTALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL598847 0.89 PDPK1 (0.59) HTTALDH1A1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL8613632 0.83 HTT (0.56) HTTALDH1A1KMT2AMEN1EPHX1
Pyridine SCHEMBL28149473 0.80 PDPK1 (0.49) HTTALDH1A1TSHR
SCHEMBL2115700 0.80 HTT (0.63) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL19120324 0.79 ALDH1A1 (0.54) HTTALDH1A1KMT2AMEN1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3151920-B1 USE OF INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS IN HIV THERAPY SANFORD BURNHAM MED RES INST (US) 2025-08-06 EP disclosed
US-20250129099-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2025-04-24 US disclosed
EP-4426707-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-09-11 EP disclosed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-27 US disclosed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
WO-2023081290-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-11 WO disclosed
EP-4143198-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2023-03-08 EP disclosed
EP-2925764-B1 INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS SANFORD BURNHAM MED RES INST (US) 2023-03-01 EP disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
WO-2008128121-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS JOYANT PHARMACEUTICALS, INC. (US) 2008-10-23 WO disclosed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US disclosed
WO-2007143267-A2 TREATMENT OF PAIN DISORDERS WITH TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE AND ITS FORMAMIDE SEPRACOR INC. (US) 2007-12-13 WO disclosed
WO-2007136921-A2 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. (US) 2007-11-29 WO disclosed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
WO-2007006003-A2 COMBINATIONS OF ESZOPICLONE AND TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPTHALENAMINE OR TRANS 4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPTHALENAMINE, AND METHODS OF TREATMENT OF MENOPAUSE AND MOOD, ANXIETY, AND COGNITIVE DISORDERS SEPRACOR INC. (US) 2007-01-11 WO disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 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-20250129099-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 HTT 3785/4885ALDH1A1 4338/4885KMT2A 3935/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S HTT 3048/4885ALDH1A1 158/4885KMT2A 1654/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH HTT 440/4885ALDH1A1 1422/4885KMT2A 2346/4885
US-11912786-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 HTT 2134/4885ALDH1A1 4556/4885KMT2A 4599/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 HTT 3785/4885ALDH1A1 4338/4885KMT2A 3935/4885

“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.