SCHEMBL990098

SCHEMBL990098

Fc1ccc(CCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
MAOB P27338 2/20 0.48
IDO1 P14902 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 2/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
AGXT P21549 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AOC2 O75106 1/20 0.41
MAOA P21397 1/20 0.41

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 SCHEMBL13518531 0.97 TAAR1 (0.54) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL9860834 0.85 GFER (0.42) TAAR1MAOBL3MBTL1MAOA
SCHEMBL1722292 0.84 TAAR1 (0.52) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL6224187 0.82 TAAR1 (0.50) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL7437052 0.82 TAAR1 (0.68) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL2990337 0.81 TAAR1 (0.54) TAAR1MAOBIDO1LOXL2AOC3
1,2-Dichloroethane SCHEMBL16781679 0.78 IDO1 (0.45) TAAR1IDO1LOXL2AGXT
SCHEMBL10574057 0.77 TAAR1 (0.62) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL2320532 0.77 TAAR1 (0.62) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL9552844 0.77 MAOB (0.46) TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 US claimed
WO-2024204554-A1 SPIROCYCLIC MORPHINAN DERIVATIVE 日本ケミファ株式会社 2024-10-03 WO disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
CN-117164480-A Method for preparing cyanamide and mercaptan 华南理工大学 2023-12-05 CN disclosed
EP-4257593-A1 CHIRAL MULTIDENTATE LIGAND AND USE THEREOF IN ASYMMETRIC HYDROGENATION SHENZHEN CATALYS TECHNOLOGY CO., LTD. (CN) 2023-10-11 EP disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
US-20220025424-A1 COMPOSITIONS AND METHODS FOR PRODUCING STEREOISOMERICALLY PURE AMINOCYCLOPROPANES IMAGO BIOSCIENCES, INC. 2022-01-27 US disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
EP-2897599-B1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES UNIV TEMPLE (US) 2020-12-30 EP disclosed
WO-1989010369-A1 NOVEL BENZOPYRIDO PIPERIDINE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND METHODS OF USE SCHERING CORPORATION (US) 1989-11-02 WO disclosed
EP-0289881-A2 2-Aminoalkyl-4-benzyl-1-(2H)-phthalazinone derivatives ASTA Medica Aktiengesellschaft (DE) 1988-11-09 EP disclosed
US-4681879-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-07-21 US disclosed
US-4608374-A 11-substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines as antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-08-26 US disclosed
EP-0144729-A1 11-Substituted 5H,11H-pyrrolo[2,1-c][1,4]benzoxazepines, a process for their preparation and their use in medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-19 EP disclosed
US-4350822-A Antilipidemicpara-[aryl(alkyl or alkenyl)amino]benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-21 US disclosed
US-4273779-A Treating hypertension with substituted-5-amino-2-pyridinecarboxylic acids CIBA-GEIGY CORPORATION (US) 1981-06-16 US disclosed
US-4185115-A Antilipidemic para-[aryl(alkyl or alkenyl)amino]-benzoic acid derivatives AMERICAN CYANAMID COMPANY (US) 1980-01-22 US disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 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 (1 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-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 TAAR1 96/4885MAOB 152/4885IDO1 890/4885

“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.