SCHEMBL459481

SCHEMBL459481

NC1CCN(CC(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
KDM1A O60341 2/20 0.38
DCPS Q96C86 1/20 0.33
DRD2 P14416 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
HPGDS O60760 4/20 0.31
JAK1 P23458 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
JAK2 O60674 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
MAPK14 Q16539 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 SCHEMBL16973697 0.98 GNAI3 (0.42) GNAI3GNAO1GNAI1KDM1ADCPS
Hydrochloric Acid SCHEMBL1700029 0.98 GNAI3 (0.42) GNAI3GNAO1GNAI1KDM1ADCPS
Trifluoroacetic Acid SCHEMBL17025592 0.87 KDM1A (0.39) KDM1AHPGDSPARP1PARP2
SCHEMBL22789404 0.86 KDM1A (0.33) GNAI3GNAO1GNAI1KDM1A
SCHEMBL20992134 0.86 KDM1A (0.33) GNAI3GNAO1GNAI1KDM1A
SCHEMBL13740262 0.86 KDM1A (0.33) GNAI3GNAO1GNAI1KDM1A
SCHEMBL17095988 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1SPHK1
SCHEMBL17096046 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1SPHK1
SCHEMBL17729337 0.79 GNAI3 (0.43) GNAI3GNAO1GNAI1SPHK1
SCHEMBL20160685 0.78 KDM1A (0.39) KDM1ADCPSHPGDSJAK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
WO-2026107349-A1 HETEROCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASES ANTARES THERAPEUTICS, INC. (US) 2026-05-21 WO disclosed
EP-4667461-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON S AND GAUCHER DISEASE Children's Hospital Medical Center (US) 2025-12-24 EP disclosed
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE CHILDRENS HOSPITAL MED CT (US) 2025-12-18 US disclosed
WO-2025076441-A1 COMPOUNDS OF GCN2 MODULATORS Alesta Therapeutics BV (NL) 2025-04-10 WO disclosed
EP-4472974-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Schrödinger, Inc. (US) 2024-12-11 EP disclosed
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-10-10 US disclosed
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 US disclosed
US-6150557-A REACTING COMPOUND CONTAINING SECONDARY AMIDE GROUPS WITH BENZENESULFINIC ACID OR ITS DERIVATIVE IN PRESENCE OF ACID CATALYST SMITHKLINE BEECHAM CORPORATION (US) 2000-11-21 US disclosed
US-6103936-A REACTING ALDEHYDE, SULFIDE, SULFONE, OR SULFOXIDE WITH FORMAMIDE IN PRESENCE OF ACID CATALYST, AND OPTIONALLY A DEHYDRATING AGENT SMITHKLINE BEECHAM CORPORATION (US) 2000-08-15 US disclosed
US-5969184-A INTERMEDIATES FOR COMPOUNDS WHICH CONTROL PRODUCTION OF EXCESSIVE INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 US disclosed
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed
US-5663334-A CYTOKINE INHIBITORS FORMED BY REACTION OF IMINE WITH SULFUR SUBSTITUTED NITRILE SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 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 (4 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-20240336593-A1 Compound Having Antitumor Activity And Use Thereof PRMT5, PRMT1, PRMT6 GNAI3 1498/4885GNAO1 2649/4885GNAI1 1457/4885
US-20250382274-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S AND GAUCHER DISEASE GBA1, GAA, GBA2 GNAI3 618/4885GNAO1 117/4885GNAI1 485/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS GNAI3 835/4885GNAO1 764/4885GNAI1 618/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 GNAI3 1353/4885GNAO1 2313/4885GNAI1 1151/4885

“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.