SCHEMBL177862

SCHEMBL177862

COc1cccc(CCBr)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.67
CHRM2 P08172 3/20 0.62
CHRM1 P11229 3/20 0.62
CHRM3 P20309 3/20 0.62
SIGMAR1 Q99720 1/20 0.59
AOC3 Q16853 1/20 0.59
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CMA1 P23946 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ABCB1 P08183 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51

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
SCHEMBL30169530 1.00 TAAR1 (0.67) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL20913240 0.98 TAAR1 (0.65) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL79359 0.89 CHRM2 (0.63) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL723511 0.87 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL30080050 0.87 TAAR1 (0.77) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL27530402 0.87 CHRM2 (0.61) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL5432845 0.86 IDO1 (0.51) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL4480826 0.85 CHRM2 (0.59) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002162 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL21002016 0.83 TAAR1 (0.71) TAAR1CHRM2CHRM1CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620788-A Preparation method of 3-methoxy phenethyl bromide 苏州求索生物科技有限公司 2021-11-09 CN claimed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
WO-2025104081-A1 TRIAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
WO-2025104092-A1 MODULATORS OF SEPTIN 6 FOR USE IN THE PREVENTION AND/OR TREATMENT OF NEURODEGENERATIVE DISORDERS REMYND N.V. (BE) 2025-05-22 WO disclosed
US-20250136601-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAITECH UNIVERSITY (CN) 2025-05-01 US disclosed
US-20250099596-A1 TETRAHYDRONAPHTHALENE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2025-03-27 US disclosed
US-20250074913-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS HOFFMANN-LA ROCHE INC. (US) 2025-03-06 US disclosed
WO-2024240155-A1 DIKETONE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州大学 2024-11-28 WO disclosed
CN-118994100-A Diketone compound and preparation method and application thereof 苏州大学 2024-11-22 CN disclosed
EP-4464710-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF ShanghaiTech University (CN) 2024-11-20 EP disclosed
US-4906645-A Pyridyl aminoethanol compounds with growth promotion and an increase in feed efficiency MERCK & CO., INC. (US) 1990-03-06 US disclosed
EP-0350309-A1 Piperidine derivatives Pfizer Limited (GB) 1990-01-10 EP disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 EP disclosed
US-3992437-A Polyhydrophenanthrene derivatives STERLING DRUG INC. (US) 1976-11-16 US disclosed
US-3932482-A CARDIOTONIC STERLING DRUG INC. (US) 1976-01-13 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-20250099596-A1 TETRAHYDRONAPHTHALENE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE CYP51A1, CYP46A1, HSD17B11 TAAR1 3267/4885CHRM2 4672/4885CHRM1 4620/4885
US-20250074913-A1 PYRAZOLE DERIVATIVES AS STING AGONISTS STING1, CGAS, MAVS TAAR1 630/4885CHRM2 2075/4885CHRM1 1315/4885
US-20250136601-A1 CYCLOPIPERIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF PPIF, CYP51A1, DHPS TAAR1 3861/4885CHRM2 3936/4885CHRM1 3697/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 TAAR1 2444/4885CHRM2 4766/4885CHRM1 4715/4885

“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.