SCHEMBL61094

SCHEMBL61094

CN[C@@H]1CCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.79
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.54
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
TAS1R2 Q8TE23 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX1 P07099 1/20 0.53
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ADRA1A P35348 1/20 0.51
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL61095 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL29453898 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL30142522 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL61380 1.00 PDPK1 (0.79) PDPK1HTTLMNAALDH1A1TAS1R3
Hydrochloric Acid SCHEMBL31126266 0.98 PDPK1 (0.76) PDPK1HTTLMNAALDH1A1TAS1R3
Hydrochloric Acid SCHEMBL5795775 0.98 PDPK1 (0.76) PDPK1HTTLMNAALDH1A1TAS1R3
SCHEMBL2465738 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL61508 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL14612385 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL61509 0.88 PDPK1 (1.00) PDPK1ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013124250-A2 FUNGICIDAL SUBSTITUTED THIOPHENES BASF SE (DE) 2013-08-29 WO claimed
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-11111270-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-07 US disclosed
US-10864217-B2 Use of inhibitor of apoptosis protein (IAP) antagonists in HIV therapy Sanford Burnham Prebys Medical Discovery Institute (US) 2020-12-15 US disclosed
US-20200317731-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists Sanford Burnham Prebys Medical Discovery Institute 2020-10-08 US disclosed
US-20200121693-A1 Use of Inhibitor of Apoptosis Protein (IAP) Antagonists in HIV Therapy SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-04-23 US disclosed
US-10544188-B2 Inhibitor of apoptosis protein (IAP) antagonists Sanford Burnham Prebys Medical Discovery Institute (US) 2020-01-28 US disclosed
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF Agro B.V. (NL) 2019-07-23 US disclosed
US-20190135861-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2019-05-09 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20070249665-A1 1-aryl-4-substituted isoquinolines NEUROGEN CORPORATION (US) 2007-10-25 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1745024-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2007-01-24 EP disclosed
WO-2005110991-A1 1-ARYL-4-SUBSTITUTED ISOQUINOLINES NEUROGEN CORPORATION (US) 2005-11-24 WO disclosed
EP-1565452-A2 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2005-08-24 EP disclosed
US-20040158067-A1 3-substituted-6-aryl pyridines NEUROGEN CORPORATION 2004-08-12 US disclosed
WO-2004043925-A2 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS NEUROGEN CORPORATION (US) 2004-05-27 WO disclosed
EP-0595851-B1 PROCESS FOR PREPARING SERTRALINE INTERMEDIATES PFIZER LTD (GB) 1996-01-10 EP disclosed
US-5442116-A Process for preparing sertraline intermediates PFIZER INC. (US) 1995-08-15 US disclosed
WO-1993001161-A1 PROCESS FOR PREPARING SERTRALINE INTERMEDIATES PFIZER LIMITED (GB) 1993-01-21 WO 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 (11 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-10864217-B2 Use of inhibitor of apoptosis protein (IAP) antagonists in HIV therapy API5, BIRC3, BIRC5 PDPK1 1388/4885HTT 3354/4885LMNA 2103/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A PDPK1 110/4885HTT 4781/4885LMNA 2416/4885
US-20200317731-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists API5, XIAP, BIRC5 PDPK1 1004/4885HTT 2134/4885LMNA 558/4885
US-20070249665-A1 1-aryl-4-substituted isoquinolines C3AR1, C5AR1, C5AR2 PDPK1 2951/4885HTT 3970/4885LMNA 3893/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 PDPK1 1652/4885HTT 3749/4885LMNA 3964/4885
US-10358426-B2 Fungicidal substituted 2-[2-halogenalkyl-4-(phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds CYP2E1, TH, CYP1A1 PDPK1 1028/4885HTT 2864/4885LMNA 4335/4885
US-10544188-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 PDPK1 1004/4885HTT 2134/4885LMNA 558/4885
US-11111270-B2 Inhibitor of apoptosis protein (IAP) antagonists API5, XIAP, BIRC5 PDPK1 1004/4885HTT 2134/4885LMNA 558/4885
US-20200121693-A1 Use of Inhibitor of Apoptosis Protein (IAP) Antagonists in HIV Therapy API5, BIRC3, BIRC5 PDPK1 1388/4885HTT 3354/4885LMNA 2103/4885
US-20190135861-A1 Inhibitor of Apoptosis Protein (IAP) Antagonists API5, XIAP, BIRC5 PDPK1 1004/4885HTT 2134/4885LMNA 558/4885
US-20040158067-A1 3-substituted-6-aryl pyridines C3AR1, C5AR1, C5AR2 PDPK1 2612/4885HTT 4549/4885LMNA 3866/4885

“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.