SCHEMBL429765

SCHEMBL429765

CCCc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
DAO P14920 2/20 0.46
MIF P14174 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL6195952 0.98 TAAR1 (0.61) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL5169427 0.94 TAAR1 (0.57) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL27469018 0.89 TAAR1 (0.52) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL30728547 0.88 TAAR1 (0.52) TAAR1SLC6A3AGXTDRD2
SCHEMBL14041054 0.88 TAAR1 (0.52) TAAR1SLC6A3AGXTDRD2
SCHEMBL1056081 0.87 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL12693653 0.85 LPL (0.61) TAAR1SLC6A3DRD2SLC6A4
Ethane SCHEMBL28237447 0.85 TAAR1 (0.57) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL7178106 0.84 TAAR1 (0.51) TAAR1SLC6A3IDO1AGXTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 WO disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-09-28 US disclosed
WO-2023164118-A1 BACTERIAL BIOFILM INHIBITORS THE RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2023-08-31 WO disclosed
WO-2023164108-A1 BACTERIAL BIOFILM INHIBITORS THE RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2023-08-31 WO disclosed
WO-2023164114-A2 BACTERIAL BIOFILM INHIBITORS THE RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2023-08-31 WO disclosed
WO-2023164115-A2 BACTERIAL BIOFILM INHIBITORS THE RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2023-08-31 WO disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 WO disclosed
EP-0930296-B2 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS CO LTD (JP) 2005-11-02 EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
EP-0850926-B1 Difluoroprostaglandin derivatives and their use ASAHI GLASS CO LTD (JP) 2002-10-09 EP disclosed
EP-0930296-B1 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS CO LTD (JP) 2002-07-24 EP disclosed
CN-1246469-A Naphthacridine derivative and liquid crystal composite containing it DAINIPPON INK CHEMICAL IND CO (JP) 2000-03-08 CN disclosed
US-5985920-A COMPOUNDS FOR TREATMENT OF VISION DEFECTS SUCH AS GLAUCOMA ASAHI GLASS COMPANY LTD. (JP) 1999-11-16 US disclosed
EP-0930296-A1 FLUORINATED PROSTAGLANDIN DERIVATIVES AND MEDICINES ASAHI GLASS COMPANY LTD. (JP) 1999-07-21 EP disclosed
US-5886035-A PREVENTIVE AND THERAPEUTICAL MEDICINE FOR EYE DISEASE ASAHI GLASS COMPANY LTD. (JP) 1999-03-23 US disclosed
EP-0850926-A2 Difluoroprostaglandin derivatives and their use ASAHI GLASS COMPANY LTD. (JP) 1998-07-01 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TAAR1 4796/4885SLC6A3 4693/4885IDO1 1056/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TAAR1 3775/4885SLC6A3 4272/4885IDO1 980/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 TAAR1 4878/4885SLC6A3 3804/4885IDO1 2840/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 TAAR1 3661/4885SLC6A3 4602/4885IDO1 952/4885
US-20230309388-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE OCIAD1, OCIAD2, SLCO4C1 TAAR1 2803/4885SLC6A3 1421/4885IDO1 3050/4885

“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.