SCHEMBL21662053

SCHEMBL21662053

NCCN1CC=C(c2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 13/20 0.64
DRD2 P14416 12/20 0.64
HTR1A P08908 11/20 0.64
KCNH2 Q12809 2/20 0.56
SIGMAR1 Q99720 1/20 0.39
PARP1 P09874 2/20 0.36
DRD3 P35462 2/20 0.36
THRB P10828 1/20 0.35
TGFBR1 P36897 1/20 0.35

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 SCHEMBL21642951 0.99 DRD4 (0.62) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL28324996 0.82 HTR1A (0.60) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL21662144 0.81 DRD4 (0.61) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL21038280 0.80 HTR1A (0.57) DRD4DRD2HTR1AKCNH2
Hydrochloric Acid SCHEMBL30658434 0.80 DRD4 (0.60) DRD4DRD2HTR1AKCNH2SIGMAR1
Hydrochloric Acid SCHEMBL21642941 0.80 DRD4 (0.60) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL21642950 0.78 HTR1A (1.00) DRD4DRD2HTR1AKCNH2
SCHEMBL5149479 0.78 HTR1A (0.53) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL3453155 0.77 DRD4 (0.52) DRD4DRD2HTR1AKCNH2SIGMAR1
SCHEMBL1138642 0.76 DRD4 (0.52) DRD4DRD2HTR1AKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399308-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-12-14 US disclosed
US-20230399308-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-12-14 US disclosed
US-11780820-B2 2,6-disubstituted pyridine derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-10 US disclosed
US-11780820-B2 2,6-disubstituted pyridine derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-10 US disclosed
US-20210332025-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-10-28 US disclosed
US-11014905-B2 2,6-disubstituted pyridine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-05-25 US disclosed
US-10800755-B2 2,6-disubstituted pyridine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-10-13 US disclosed
US-20200239432-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-30 US disclosed
EP-3608314-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-02-12 EP disclosed
US-20200039952-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-02-06 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 (7 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-20210332025-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885
US-20200039952-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885
US-20230399308-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885
US-11014905-B2 2,6-disubstituted pyridine derivative CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885
US-20200239432-A1 2,6-DISUBSTITUTED PYRIDINE DERIVATIVE CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885
US-11780820-B2 2,6-disubstituted pyridine derivative CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885
US-10800755-B2 2,6-disubstituted pyridine derivative CNR1, CNR2, CRHR1 DRD4 29/4885DRD2 12/4885HTR1A 7/4885

“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.