SCHEMBL760251

SCHEMBL760251

O=S(=O)(OC1C2CCC1CN(Cc1ccccc1)C2)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
FUCA1 P04066 2/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
BACE1 P56817 2/20 0.40
GRIN2B Q13224 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL18986974 1.00 HTR2A (0.42) HTR2AFUCA1BCHEACHEBACE1
SCHEMBL12371117 1.00 HTR2A (0.42) HTR2AFUCA1BCHEACHEBACE1
SCHEMBL28948610 0.84 FUCA1 (0.41) HTR2AFUCA1BCHEACHEBACE1
SCHEMBL26709646 0.83 RECQL (0.48) HTR2AFUCA1ACHERECQLSMN1; SMN2
SCHEMBL4193483 0.83 RECQL (0.48) HTR2AFUCA1ACHERECQLSMN1; SMN2
SCHEMBL2241410 0.83 FUCA1 (0.45) HTR2AFUCA1S1PR1S1PR5DRD2
SCHEMBL13521597 0.78 HTR2A (0.48) HTR2ABCHEACHEBACE1
SCHEMBL12347368 0.77 PTPN1 (0.42) HTR2AFUCA1ACHERECQLSMN1; SMN2
SCHEMBL25746377 0.76 HTR2A (0.43) HTR2ABCHEACHEBACE1DRD2
SCHEMBL11413096 0.75 FUCA1 (0.60) FUCA1BCHEACHEBACE1GRIN2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368112-B Therapeutic compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
EP-3390402-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-10-24 EP disclosed
US-20180297997-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 US disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed
EP-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed
US-7994094-B2 N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO., LTD. (JP) 2011-08-09 US disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2050745-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT Otsuka Chemical Co., Ltd. (JP) 2009-04-22 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 (3 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 HTR2A 4607/4885FUCA1 2120/4885BCHE 2882/4885
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT HRH4, NOX4, PRDX4 HTR2A 1835/4885FUCA1 4879/4885BCHE 1993/4885
US-20180297997-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 HTR2A 4607/4885FUCA1 2120/4885BCHE 2882/4885

“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.