SCHEMBL17629231

SCHEMBL17629231

c1cc(N2CCNCC2)nc(C2CCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
HRH4 Q9H3N8 7/20 0.53
CYP1A2 P05177 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PLD1 Q13393 1/20 0.45
CYP2C9 P11712 1/20 0.44
CHRM3 P20309 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2A P28223 1/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
ADRB1 P08588 2/20 0.42

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
SCHEMBL14246929 0.81 CHRM3 (0.62) HRH3HRH4CHRM3PDE4APDE4B
SCHEMBL28839911 0.79 HRH4 (0.57) HRH3HRH4CYP1A2HSD17B10HTR2C
SCHEMBL861413 0.77 HRH3 (0.54) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL1588027 0.75 HRH4 (0.71) HRH3HRH4PRKD1PRKD2
SCHEMBL28124954 0.75 HRH4 (0.59) HRH3HRH4CYP1A2HSD17B10HTR2C
SCHEMBL1588863 0.73 HRH4 (0.90) HRH3HRH4
SCHEMBL28637136 0.73 CASP1 (0.67) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL29519526 0.73 CASP1 (0.67) HRH3HRH4CYP1A2HSD17B10PLD1
SCHEMBL28125296 0.72 HRH4 (0.66) HRH3HRH4
SCHEMBL23458788 0.72 HRH3 (0.65) HRH3HRH4CYP1A2HSD17B10PLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626710-B1 PROCESS FOR PREPARING AN INTERMEDIATE IN THE SYNTHESIS OF (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-02-16 EP disclosed
US-10870626-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2020-12-22 US disclosed
US-10870626-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2020-12-22 US disclosed
US-10870626-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds F. HOFFMAN-LA ROCHE AG (CH) 2020-12-22 US disclosed
EP-3626710-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-03-25 EP disclosed
EP-3626710-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-03-25 EP disclosed
US-10457648-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds GENENTECH INC. (US) 2019-10-29 US disclosed
US-10457648-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds GENENTECH INC. (US) 2019-10-29 US disclosed
US-10457648-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds GENENTECH INC. (US) 2019-10-29 US disclosed
EP-3197875-B1 PROCESSES FOR PREPARING (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-08-14 EP disclosed
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US disclosed
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US disclosed
EP-3197875-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-08-02 EP disclosed
EP-3197875-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2017-08-02 EP disclosed
WO-2016049414-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-31 WO disclosed
WO-2016049414-A1 PROCESSES FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-31 WO 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-10870626-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds PAK5, CDK5, PPIP5K2 HRH3 4014/4885HRH4 2925/4885CYP1A2 2217/4885
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 HRH3 4014/4885HRH4 2925/4885CYP1A2 2217/4885
US-10457648-B2 Process for preparing (cyclopentyl[d]pyrimidin-4-yl)piperazine compounds PAK5, CDK5, PPIP5K2 HRH3 4014/4885HRH4 2925/4885CYP1A2 2217/4885

“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.