SCHEMBL94458

SCHEMBL94458

CC(C)([O])Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
TRPA1 O75762 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
FDPS P14324 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
PRMT1 Q99873 1/20 0.43
MMP8 P22894 2/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 1/20 0.42
CALM1 P0DP23 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
SCHEMBL8121696 0.84 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL7666090 0.84 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL8586071 0.79 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1900874 0.79 SLC6A2 (0.58) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL19118092 0.78 SLC6A2 (0.52) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1572105 0.78 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL347187 0.78 SLC6A2 (0.64) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL1357604 0.77 SLC6A2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL6552350 0.77 SMN1; SMN2 (0.50) SLC6A2TAAR1CYP2D6LMNATRPA1
SCHEMBL28358439 0.76 SLC6A2 (0.61) SLC6A2TAAR1CYP2D6LMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4647912-B2 2011-03-09 JP claimed
JP-2005514427-A 2005-05-19 JP claimed
EP-1469729-A1 VIRUCIDAL DISINFECTANT Lonza AG (CH) 2004-10-27 EP claimed
WO-2003059062-A1 VIRUCIDAL DISINFECTANT LONZA AG (CH) 2003-07-24 WO claimed
WO-2023176796-A1 SCAR FORMATION INHIBITOR, FIBROBLAST PROLIFERATION INHIBITOR, AND METHOD FOR PRODUCING NANOPARTICLES 国立大学法人東北大学 2023-09-21 WO disclosed
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-09-10 US disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
US-4185112-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed
EP-0004624-A2 Chromanon derivatives, process for their preparation, and their use as medicines and growth-promoting agents BAYER AG (DE) 1979-10-17 EP disclosed
EP-0001424-A1 Insecticidal agents BAYER AG (DE) 1979-04-18 EP disclosed
EP-0001428-A1 Insecticidal and acaricidal agents containing chroman derivatives, their preparation and their use, as well as chroman derivatives and their preparation BAYER AG (DE) 1979-04-18 EP disclosed
EP-0000377-A1 Process for the preparation of chromone derivatives, new chromone derivatives and their use as plant-protecting agents BAYER AG (DE) 1979-01-24 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 (6 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-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 SLC6A2 108/4885TAAR1 468/4885CYP2D6 107/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C SLC6A2 14/4885TAAR1 99/4885CYP2D6 1256/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C SLC6A2 94/4885TAAR1 109/4885CYP2D6 351/4885
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH SLC6A2 2/4885TAAR1 66/4885CYP2D6 855/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 SLC6A2 254/4885TAAR1 411/4885CYP2D6 70/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C SLC6A2 94/4885TAAR1 109/4885CYP2D6 351/4885

“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.